BAS 07126301
TL;DR: BAS 07126301 (CAS 672338-38-4) is a chemical compound with molecular formula C22H22ClFN4O2 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide
Also Known As: BAS 07126301, AP-970/42524773, N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide, N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-4-cyano-2-fluorobenzamide, N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)-4-cyano-2-fluorobenzamide
| Molecular Formula | C22H22ClFN4O2 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.90768 |
| Topological Polar Surface Area | 76.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.14154 |
| Heavy Atoms | 30 |
| Complexity | 1010.6825 |
Chemical Identifiers
| CAS Number | 672338-38-4 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl |
Product Overview
BAS 07126301 (CAS 672338-38-4), with molecular formula C22H22ClFN4O2 and molecular weight 428.14 g/mol. IUPAC: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide.
Chemical Property Profile of BAS 07126301
Property Insights of BAS 07126301
The XLogP value of 3.90768 indicates that BAS 07126301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07126301. Following Lipinski's Rule of Five, BAS 07126301 has 1 hydrogen bond donor(s) and 4 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 BAS 07126301?
The CAS number of BAS 07126301 is 672338-38-4.
What is the molecular formula of BAS 07126301?
The molecular formula of BAS 07126301 is C22H22ClFN4O2.
What is the molecular weight of BAS 07126301?
The molecular weight of BAS 07126301 is 428.14 g/mol.
Where can I buy BAS 07126301?
You can request a quote for BAS 07126301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07126301?
Yes, KEHONG BIO provides custom synthesis services for BAS 07126301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.