Loading ...
Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »


Product Show structure
In order to add this molecule to a collection you have to create an account.   Sign up for free
  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
Guaranteed purity (%) Delivery time  Help
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
1 mg 279 USD 95 6 working days Get Quote
5 mg 279 USD 95 6 working days Get Quote
10 mg 279 USD 95 6 working days Get Quote
New customers are eligible for 10% discount if indicated at the time of ordering.
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-580510645.sdf
SMILES P-580510645.smiles
Standard InChI P-580510645.inchi
InChIKey P-580510645.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-580510645 Manchester Organics Stock compounds 95 in stock July 17, 2017
Property Value
Components 2
Mass 298.291
logP -0.2877
H-bond acceptors 8
H-bond donors 5
Rotatable bonds 4
PSA 139.98
RO5 violations 0
RO3 violations 4
Refractivity 75.4359
Atoms 39
Rings 2
Heavy atoms 21
Hydrogen atoms 18
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0