BAS 02052729
TL;DR: BAS 02052729 (CAS 332874-44-9) is a chemical compound with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 02052729, A2324/0098024, ethyl 2-(2-chloronicotinamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-chloro(3-pyridyl))carbonylamino]-6-ethyl-4,5,6,7-tetrahydrobenzo[b ]thiophene-3-carboxylate, ethyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H21ClN2O3S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.7404 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09613 |
| Heavy Atoms | 26 |
| Complexity | 834.1869 |
Chemical Identifiers
| CAS Number | 332874-44-9 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(N=CC=C3)Cl |
Product Overview
BAS 02052729 (CAS 332874-44-9), with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol. IUPAC: ethyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 02052729
Property Insights of BAS 02052729
The XLogP value of 4.7404 indicates that BAS 02052729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02052729. Following Lipinski's Rule of Five, BAS 02052729 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 02052729?
The CAS number of BAS 02052729 is 332874-44-9.
What is the molecular formula of BAS 02052729?
The molecular formula of BAS 02052729 is C19H21ClN2O3S.
What is the molecular weight of BAS 02052729?
The molecular weight of BAS 02052729 is 392.10 g/mol.
Where can I buy BAS 02052729?
You can request a quote for BAS 02052729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052729?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.