Benzotriazol-1-yl(cyclopropyl)methanone
TL;DR: Benzotriazol-1-yl(cyclopropyl)methanone (CAS 354996-72-8) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl(cyclopropyl)methanone
Also Known As: Olaparib Impurity 131, benzotriazol-1-yl(cyclopropyl)methanone, 1H-Benzotriazol-1-ylcyclopropylmethanone, benzotriazolyl cyclopropyl ketone, (1H-benzo[d][1,2,3]triazol-1-yl)(cyclopropyl)methanone
| Molecular Formula | C10H9N3O |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 1.4815 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.07455 |
| Heavy Atoms | 14 |
| Complexity | 498.79135 |
Chemical Identifiers
| CAS Number | 354996-72-8 |
|---|---|
| SMILES | C1CC1C(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
Benzotriazol-1-yl(cyclopropyl)methanone (CAS 354996-72-8), with molecular formula C10H9N3O and molecular weight 187.07 g/mol. IUPAC: benzotriazol-1-yl(cyclopropyl)methanone.
Chemical Property Profile of Benzotriazol-1-yl(cyclopropyl)methanone
Property Insights of Benzotriazol-1-yl(cyclopropyl)methanone
The XLogP value of 1.4815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl(cyclopropyl)methanone. With a topological polar surface area (TPSA) of 47.78 Ų, Benzotriazol-1-yl(cyclopropyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl(cyclopropyl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzotriazol-1-yl(cyclopropyl)methanone?
The CAS number of Benzotriazol-1-yl(cyclopropyl)methanone is 354996-72-8.
What is the molecular formula of Benzotriazol-1-yl(cyclopropyl)methanone?
The molecular formula of Benzotriazol-1-yl(cyclopropyl)methanone is C10H9N3O.
What is the molecular weight of Benzotriazol-1-yl(cyclopropyl)methanone?
The molecular weight of Benzotriazol-1-yl(cyclopropyl)methanone is 187.07 g/mol.
Where can I buy Benzotriazol-1-yl(cyclopropyl)methanone?
You can request a quote for Benzotriazol-1-yl(cyclopropyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl(cyclopropyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl(cyclopropyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.