N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
TL;DR: N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide (CAS 642429-47-8) is a chemical compound with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
Also Known As: N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide, BAS 06856027, N-(6-Chloro-2-phenyl-2H-benzotriazol-5-yl)-propionamide, AP-970/42166265, N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)propanamide
| Molecular Formula | C15H13ClN4O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.0778 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 642429-47-8 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=CC=C3 |
| InChIKey | QOUBYVKINDYBIU-UHFFFAOYSA-N |
Product Overview
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide (CAS 642429-47-8), with molecular formula C15H13ClN4O and molecular weight 300.08 g/mol. IUPAC: N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide.
Chemical Property Profile of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
Property Insights of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
The XLogP value of 3.6 indicates that N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide has 1 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 N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The CAS number of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is 642429-47-8.
What is the molecular formula of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The molecular formula of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is C15H13ClN4O.
What is the molecular weight of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The molecular weight of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is 300.08 g/mol.
Where can I buy N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
You can request a quote for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.