BAS 12517709
TL;DR: BAS 12517709 (CAS 765934-57-4) is a chemical compound with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate
Also Known As: BAS 12517709, METHYL 4-(4-ACETYLPIPERAZIN-1-YL)-3-(3-CHLORO-4-METHYLBENZAMIDO)BENZOATE, methyl 4-(4-acetylpiperazin-1-yl)-3-{[(3-chloro-4-methylphenyl)carbonyl]amino}benzoate, methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate, methyl 4-(4-acetylpiperazinyl)-3-[(3-chloro-4-methylphenyl)carbonylamino]benzo ate
| Molecular Formula | C22H24ClN3O4 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 3.35582 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.14554 |
| Heavy Atoms | 30 |
| Complexity | 984.3431 |
Chemical Identifiers
| CAS Number | 765934-57-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl |
Product Overview
BAS 12517709 (CAS 765934-57-4), with molecular formula C22H24ClN3O4 and molecular weight 429.15 g/mol. IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate.
Chemical Property Profile of BAS 12517709
Property Insights of BAS 12517709
The XLogP value of 3.35582 indicates that BAS 12517709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12517709. Following Lipinski's Rule of Five, BAS 12517709 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 12517709?
The CAS number of BAS 12517709 is 765934-57-4.
What is the molecular formula of BAS 12517709?
The molecular formula of BAS 12517709 is C22H24ClN3O4.
What is the molecular weight of BAS 12517709?
The molecular weight of BAS 12517709 is 429.15 g/mol.
Where can I buy BAS 12517709?
You can request a quote for BAS 12517709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12517709?
Yes, KEHONG BIO provides custom synthesis services for BAS 12517709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.