BAS 00540410
TL;DR: BAS 00540410 (CAS 314055-45-3) is a chemical compound with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00540410, ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19ClN2O5S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 4.8635 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0703 |
| Heavy Atoms | 28 |
| Complexity | 956.0409 |
Chemical Identifiers
| CAS Number | 314055-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
BAS 00540410 (CAS 314055-45-3), with molecular formula C19H19ClN2O5S and molecular weight 422.07 g/mol. IUPAC: ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00540410
Property Insights of BAS 00540410
The XLogP value of 4.8635 indicates that BAS 00540410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00540410. Following Lipinski's Rule of Five, BAS 00540410 has 1 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 00540410?
The CAS number of BAS 00540410 is 314055-45-3.
What is the molecular formula of BAS 00540410?
The molecular formula of BAS 00540410 is C19H19ClN2O5S.
What is the molecular weight of BAS 00540410?
The molecular weight of BAS 00540410 is 422.07 g/mol.
Where can I buy BAS 00540410?
You can request a quote for BAS 00540410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00540410?
Yes, KEHONG BIO provides custom synthesis services for BAS 00540410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.