BAS 06653624
TL;DR: BAS 06653624 (CAS 445016-26-2) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14 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]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 06653624, F0882-1250, methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-(3,4,5-TRIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-(3,4,5-trimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 4.0817 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 895.1305 |
Chemical Identifiers
| CAS Number | 445016-26-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC |
Product Overview
BAS 06653624 (CAS 445016-26-2), with molecular formula C21H25NO6S and molecular weight 419.14 g/mol. IUPAC: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 06653624
Property Insights of BAS 06653624
The XLogP value of 4.0817 indicates that BAS 06653624 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 06653624. Following Lipinski's Rule of Five, BAS 06653624 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 06653624?
The CAS number of BAS 06653624 is 445016-26-2.
What is the molecular formula of BAS 06653624?
The molecular formula of BAS 06653624 is C21H25NO6S.
What is the molecular weight of BAS 06653624?
The molecular weight of BAS 06653624 is 419.14 g/mol.
Where can I buy BAS 06653624?
You can request a quote for BAS 06653624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06653624?
Yes, KEHONG BIO provides custom synthesis services for BAS 06653624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.