AP-064/15228852
TL;DR: AP-064/15228852 (CAS 407590-77-6) is a chemical compound with molecular formula C23H27ClN2O4S and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: AP-064/15228852, 3-({6-TERT-BUTYL-3-[(2-CHLOROPHENYL)CARBAMOYL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL}CARBAMOYL)PROPANOIC ACID, 4-[[6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid, 4-((6-(tert-butyl)-3-((2-chlorophenyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid, 4-({6-tert-butyl-3-[(2-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}amino)-4-oxobutanoic acid
| Molecular Formula | C23H27ClN2O4S |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 5.6081 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.138 |
| Heavy Atoms | 31 |
| Complexity | 1009.4908 |
Chemical Identifiers
| CAS Number | 407590-77-6 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Cl)NC(=O)CCC(=O)O |
Product Overview
AP-064/15228852 (CAS 407590-77-6), with molecular formula C23H27ClN2O4S and molecular weight 462.14 g/mol. IUPAC: 4-[[6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of AP-064/15228852
Property Insights of AP-064/15228852
The XLogP value of 5.6081 indicates that AP-064/15228852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/15228852. Following Lipinski's Rule of Five, AP-064/15228852 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-064/15228852?
The CAS number of AP-064/15228852 is 407590-77-6.
What is the molecular formula of AP-064/15228852?
The molecular formula of AP-064/15228852 is C23H27ClN2O4S.
What is the molecular weight of AP-064/15228852?
The molecular weight of AP-064/15228852 is 462.14 g/mol.
Where can I buy AP-064/15228852?
You can request a quote for AP-064/15228852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/15228852?
Yes, KEHONG BIO provides custom synthesis services for AP-064/15228852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.