BAS 02251813
TL;DR: BAS 02251813 (CAS 335421-30-2) is a chemical compound with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 02251813, N-ethyl-2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-ethyl-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, Cambridge id 7007992
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.6547 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 897.03064 |
Chemical Identifiers
| CAS Number | 335421-30-2 |
|---|---|
| SMILES | CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
BAS 02251813 (CAS 335421-30-2), with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol. IUPAC: N-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 02251813
Property Insights of BAS 02251813
The XLogP value of 3.6547 indicates that BAS 02251813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02251813. Following Lipinski's Rule of Five, BAS 02251813 has 2 hydrogen bond donor(s) and 6 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 02251813?
The CAS number of BAS 02251813 is 335421-30-2.
What is the molecular formula of BAS 02251813?
The molecular formula of BAS 02251813 is C21H26N2O5S.
What is the molecular weight of BAS 02251813?
The molecular weight of BAS 02251813 is 418.16 g/mol.
Where can I buy BAS 02251813?
You can request a quote for BAS 02251813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02251813?
Yes, KEHONG BIO provides custom synthesis services for BAS 02251813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.