BAS 03305043
TL;DR: BAS 03305043 (CAS 459180-56-4) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxybenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 03305043, 2-(3,4-dimethoxybenzamido)-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(3,4-dimethoxybenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.8122 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 904.0508 |
Chemical Identifiers
| CAS Number | 459180-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C)OC |
Product Overview
BAS 03305043 (CAS 459180-56-4), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-[(3,4-dimethoxybenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 03305043
Property Insights of BAS 03305043
The XLogP value of 3.8122 indicates that BAS 03305043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03305043. Following Lipinski's Rule of Five, BAS 03305043 has 2 hydrogen bond donor(s) and 5 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 03305043?
The CAS number of BAS 03305043 is 459180-56-4.
What is the molecular formula of BAS 03305043?
The molecular formula of BAS 03305043 is C21H24N2O4S.
What is the molecular weight of BAS 03305043?
The molecular weight of BAS 03305043 is 400.15 g/mol.
Where can I buy BAS 03305043?
You can request a quote for BAS 03305043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03305043?
Yes, KEHONG BIO provides custom synthesis services for BAS 03305043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.