BAS 01029715
TL;DR: BAS 01029715 (CAS 333778-29-3) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01029715, Ethyl 2-(2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-({[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.41792 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 992.03314 |
Chemical Identifiers
| CAS Number | 333778-29-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C)C)C#N |
Product Overview
BAS 01029715 (CAS 333778-29-3), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: ethyl 2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01029715
Property Insights of BAS 01029715
The XLogP value of 4.41792 indicates that BAS 01029715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029715. Following Lipinski's Rule of Five, BAS 01029715 has 1 hydrogen bond donor(s) and 7 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 01029715?
The CAS number of BAS 01029715 is 333778-29-3.
What is the molecular formula of BAS 01029715?
The molecular formula of BAS 01029715 is C21H23N3O3S2.
What is the molecular weight of BAS 01029715?
The molecular weight of BAS 01029715 is 429.12 g/mol.
Where can I buy BAS 01029715?
You can request a quote for BAS 01029715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029715?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.