BAS 00796096
TL;DR: BAS 00796096 (CAS 332017-66-0) is a chemical compound with molecular formula C12H16N2O3S2 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate
Also Known As: BAS 00796096, ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate, 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester, 2-(3-Acetyl-thioureido)-5-ethyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-(3-acetylthioureido)-5-ethylthiophene-3-carboxylate
| Molecular Formula | C12H16N2O3S2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.06024 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 332017-66-0 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC(=O)C)C(=O)OCC |
| InChIKey | ZEEQQOSXJRSPPM-UHFFFAOYSA-N |
Product Overview
BAS 00796096 (CAS 332017-66-0), with molecular formula C12H16N2O3S2 and molecular weight 300.06 g/mol. IUPAC: ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 00796096
Property Insights of BAS 00796096
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00796096. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00796096. Following Lipinski's Rule of Five, BAS 00796096 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 00796096?
The CAS number of BAS 00796096 is 332017-66-0.
What is the molecular formula of BAS 00796096?
The molecular formula of BAS 00796096 is C12H16N2O3S2.
What is the molecular weight of BAS 00796096?
The molecular weight of BAS 00796096 is 300.06 g/mol.
Where can I buy BAS 00796096?
You can request a quote for BAS 00796096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00796096?
Yes, KEHONG BIO provides custom synthesis services for BAS 00796096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.