BAS 00796094
TL;DR: BAS 00796094 (CAS 325823-13-0) is a chemical compound with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(acetylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00796094, BIM-0012885.P001, AN-329/40302984, ethyl 2-{[(acetylamino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(acetylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C13H16N2O3S2 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.2464 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06024 |
| Heavy Atoms | 20 |
| Complexity | 566.20764 |
Chemical Identifiers
| CAS Number | 325823-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C |
Product Overview
BAS 00796094 (CAS 325823-13-0), with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol. IUPAC: ethyl 2-(acetylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00796094
Property Insights of BAS 00796094
The XLogP value of 2.2464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00796094. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00796094. Following Lipinski's Rule of Five, BAS 00796094 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 00796094?
The CAS number of BAS 00796094 is 325823-13-0.
What is the molecular formula of BAS 00796094?
The molecular formula of BAS 00796094 is C13H16N2O3S2.
What is the molecular weight of BAS 00796094?
The molecular weight of BAS 00796094 is 312.06 g/mol.
Where can I buy BAS 00796094?
You can request a quote for BAS 00796094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00796094?
Yes, KEHONG BIO provides custom synthesis services for BAS 00796094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.