AP-064/40657533
TL;DR: AP-064/40657533 (CAS 491869-84-2) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AP-064/40657533, N-(5-chloro-2-methoxyphenyl)-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(5-chloro-2-methoxyphenyl)-2-[(2,2-dimethylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H25ClN2O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 5.5258 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.12744 |
| Heavy Atoms | 28 |
| Complexity | 915.105 |
Chemical Identifiers
| CAS Number | 491869-84-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NC3=C(C=CC(=C3)Cl)OC |
Product Overview
AP-064/40657533 (CAS 491869-84-2), with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AP-064/40657533
Property Insights of AP-064/40657533
The XLogP value of 5.5258 indicates that AP-064/40657533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-064/40657533. Following Lipinski's Rule of Five, AP-064/40657533 has 2 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-064/40657533?
The CAS number of AP-064/40657533 is 491869-84-2.
What is the molecular formula of AP-064/40657533?
The molecular formula of AP-064/40657533 is C21H25ClN2O3S.
What is the molecular weight of AP-064/40657533?
The molecular weight of AP-064/40657533 is 420.13 g/mol.
Where can I buy AP-064/40657533?
You can request a quote for AP-064/40657533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-064/40657533?
Yes, KEHONG BIO provides custom synthesis services for AP-064/40657533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.