A1969/0082776
TL;DR: A1969/0082776 (CAS 300689-36-5) is a chemical compound with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A1969/0082776, N-(3-cyano(4,5,6-trihydrocyclopenta[1,2-d]thiophen-2-yl))-2-(4-methyl(1,2,4-tr iazol-3-ylthio))acetamide, N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIEN-2-YL)-2-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C13H13N5OS2 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.05615 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 300689-36-5 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C#N |
| InChIKey | VUMASJYMOOLHRQ-UHFFFAOYSA-N |
Product Overview
A1969/0082776 (CAS 300689-36-5), with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A1969/0082776
Property Insights of A1969/0082776
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1969/0082776. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A1969/0082776. Following Lipinski's Rule of Five, A1969/0082776 has 1 hydrogen bond donor(s) and 6 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 A1969/0082776?
The CAS number of A1969/0082776 is 300689-36-5.
What is the molecular formula of A1969/0082776?
The molecular formula of A1969/0082776 is C13H13N5OS2.
What is the molecular weight of A1969/0082776?
The molecular weight of A1969/0082776 is 319.06 g/mol.
Where can I buy A1969/0082776?
You can request a quote for A1969/0082776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1969/0082776?
Yes, KEHONG BIO provides custom synthesis services for A1969/0082776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.