BAS 03076982
TL;DR: BAS 03076982 (CAS 300559-59-5) is a chemical compound with molecular formula C20H23NO6S and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 03076982, F1443-0363, methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(3,4,5-TRIMETHOXYBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H23NO6S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 3.6916 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1246 |
| Heavy Atoms | 28 |
| Complexity | 879.33624 |
Chemical Identifiers
| CAS Number | 300559-59-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
BAS 03076982 (CAS 300559-59-5), with molecular formula C20H23NO6S and molecular weight 405.12 g/mol. IUPAC: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 03076982
Property Insights of BAS 03076982
The XLogP value of 3.6916 indicates that BAS 03076982 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 BAS 03076982. Following Lipinski's Rule of Five, BAS 03076982 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 BAS 03076982?
The CAS number of BAS 03076982 is 300559-59-5.
What is the molecular formula of BAS 03076982?
The molecular formula of BAS 03076982 is C20H23NO6S.
What is the molecular weight of BAS 03076982?
The molecular weight of BAS 03076982 is 405.12 g/mol.
Where can I buy BAS 03076982?
You can request a quote for BAS 03076982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03076982?
Yes, KEHONG BIO provides custom synthesis services for BAS 03076982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.