AF-399/13567266
TL;DR: AF-399/13567266 (CAS 302805-66-9) is a chemical compound with molecular formula C20H22BrNO6S and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/13567266, methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(2-BROMO-3,4,5-TRIMETHOXYBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(2-bromo-3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate
| Molecular Formula | C20H22BrNO6S |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 4.4541 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.03513 |
| Heavy Atoms | 29 |
| Complexity | 955.1786 |
Chemical Identifiers
| CAS Number | 302805-66-9 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br)OC)OC |
Product Overview
AF-399/13567266 (CAS 302805-66-9), with molecular formula C20H22BrNO6S and molecular weight 483.04 g/mol. IUPAC: methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/13567266
Property Insights of AF-399/13567266
The XLogP value of 4.4541 indicates that AF-399/13567266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13567266. Following Lipinski's Rule of Five, AF-399/13567266 has 1 hydrogen bond donor(s) and 7 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 AF-399/13567266?
The CAS number of AF-399/13567266 is 302805-66-9.
What is the molecular formula of AF-399/13567266?
The molecular formula of AF-399/13567266 is C20H22BrNO6S.
What is the molecular weight of AF-399/13567266?
The molecular weight of AF-399/13567266 is 483.04 g/mol.
Where can I buy AF-399/13567266?
You can request a quote for AF-399/13567266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13567266?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13567266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.