AB00114572-01
TL;DR: AB00114572-01 (CAS 302805-72-7) is a chemical compound with molecular formula C21H24BrNO6S and molecular weight 497.05 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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00114572-01, AF-399/13567300, methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(2-BROMO-3,4,5-TRIMETHOXYBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C21H24BrNO6S |
|---|---|
| Molecular Weight | 497.05 g/mol |
| LogP | 4.7001 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.05078 |
| Heavy Atoms | 30 |
| Complexity | 986.6067 |
Chemical Identifiers
| CAS Number | 302805-72-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC |
Product Overview
AB00114572-01 (CAS 302805-72-7), with molecular formula C21H24BrNO6S and molecular weight 497.05 g/mol. IUPAC: methyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00114572-01
Property Insights of AB00114572-01
The XLogP value of 4.7001 indicates that AB00114572-01 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 AB00114572-01. Following Lipinski's Rule of Five, AB00114572-01 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 AB00114572-01?
The CAS number of AB00114572-01 is 302805-72-7.
What is the molecular formula of AB00114572-01?
The molecular formula of AB00114572-01 is C21H24BrNO6S.
What is the molecular weight of AB00114572-01?
The molecular weight of AB00114572-01 is 497.05 g/mol.
Where can I buy AB00114572-01?
You can request a quote for AB00114572-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114572-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114572-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.