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.
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 306 USD 90 11 working days Get Quote
5 mg 306 USD 90 11 working days Get Quote
10 mg 306 USD 90 11 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-502350272.sdf
SMILES P-502350272.smiles
Standard InChI P-502350272.inchi
InChIKey P-502350272.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-502350272 TimTec Building Block Collection 90 in stock February 1, 2015
Property Value
Components 1
Mass 176.128
logP -0.3262
H-bond acceptors 7
H-bond donors 4
Rotatable bonds 5
PSA 129.72
RO5 violations 0
RO3 violations 4
Refractivity 35.7907
Atoms 20
Rings 0
Heavy atoms 12
Hydrogen atoms 8
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0