BAS 07126231
TL;DR: BAS 07126231 (CAS 671818-58-9) is a chemical compound with molecular formula C23H28ClN3O4 and molecular weight 445.18 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]-2,6-dimethoxybenzamide
Also Known As: BAS 07126231, N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide, AP-970/42524746, N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-2,6-dimethoxybenzamide, N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)-2,6-dimethoxybenzamide
| Molecular Formula | C23H28ClN3O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 3.9141 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.17682 |
| Heavy Atoms | 31 |
| Complexity | 933.58295 |
Chemical Identifiers
| CAS Number | 671818-58-9 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3OC)OC)Cl |
Product Overview
BAS 07126231 (CAS 671818-58-9), with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol. IUPAC: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide.
Chemical Property Profile of BAS 07126231
Property Insights of BAS 07126231
The XLogP value of 3.9141 indicates that BAS 07126231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07126231. Following Lipinski's Rule of Five, BAS 07126231 has 1 hydrogen bond donor(s) and 5 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 07126231?
The CAS number of BAS 07126231 is 671818-58-9.
What is the molecular formula of BAS 07126231?
The molecular formula of BAS 07126231 is C23H28ClN3O4.
What is the molecular weight of BAS 07126231?
The molecular weight of BAS 07126231 is 445.18 g/mol.
Where can I buy BAS 07126231?
You can request a quote for BAS 07126231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07126231?
Yes, KEHONG BIO provides custom synthesis services for BAS 07126231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.