BAS 03018014
TL;DR: BAS 03018014 (CAS 333788-48-0) is a chemical compound with molecular formula C13H16N2O2S2 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
Also Known As: BAS 03018014, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2-hydroxyethyl)sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((2-hydroxyethyl)thio)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(2-hydroxyethyl)sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
| Molecular Formula | C13H16N2O2S2 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.16258 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0653 |
| Heavy Atoms | 19 |
| Complexity | 505.47687 |
Chemical Identifiers
| CAS Number | 333788-48-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSCCO)C#N |
Product Overview
BAS 03018014 (CAS 333788-48-0), with molecular formula C13H16N2O2S2 and molecular weight 296.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide.
Chemical Property Profile of BAS 03018014
Property Insights of BAS 03018014
The XLogP value of 2.16258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03018014. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03018014. Following Lipinski's Rule of Five, BAS 03018014 has 2 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 03018014?
The CAS number of BAS 03018014 is 333788-48-0.
What is the molecular formula of BAS 03018014?
The molecular formula of BAS 03018014 is C13H16N2O2S2.
What is the molecular weight of BAS 03018014?
The molecular weight of BAS 03018014 is 296.07 g/mol.
Where can I buy BAS 03018014?
You can request a quote for BAS 03018014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03018014?
Yes, KEHONG BIO provides custom synthesis services for BAS 03018014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.