BAS 00540070
TL;DR: BAS 00540070 (CAS 5524-80-1) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00540070, BIM-0022887.P001, ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, A2280/0096086, ETHYL 2-(2-ETHOXYBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H23NO4S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 4.4546 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.13477 |
| Heavy Atoms | 26 |
| Complexity | 812.1377 |
Chemical Identifiers
| CAS Number | 5524-80-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
Product Overview
BAS 00540070 (CAS 5524-80-1), with molecular formula C20H23NO4S and molecular weight 373.13 g/mol. IUPAC: ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00540070
Property Insights of BAS 00540070
The XLogP value of 4.4546 indicates that BAS 00540070 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00540070. Following Lipinski's Rule of Five, BAS 00540070 has 1 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 00540070?
The CAS number of BAS 00540070 is 5524-80-1.
What is the molecular formula of BAS 00540070?
The molecular formula of BAS 00540070 is C20H23NO4S.
What is the molecular weight of BAS 00540070?
The molecular weight of BAS 00540070 is 373.13 g/mol.
Where can I buy BAS 00540070?
You can request a quote for BAS 00540070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00540070?
Yes, KEHONG BIO provides custom synthesis services for BAS 00540070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.