AB01302999-01
TL;DR: AB01302999-01 (CAS 894149-71-4) is a chemical compound with molecular formula C13H18N6OS2 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB01302999-01, 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-[(5-cyclopentyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide, 2-(5-cyclopentyl-4-ethyl(1,2,4-triazol-3-ylthio))-N-(1,3,4-thiadiazol-2-yl)ace tamide
| Molecular Formula | C13H18N6OS2 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.5379 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.09836 |
| Heavy Atoms | 22 |
| Complexity | 620.51874 |
Chemical Identifiers
| CAS Number | 894149-71-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NN=CS2)C3CCCC3 |
Product Overview
AB01302999-01 (CAS 894149-71-4), with molecular formula C13H18N6OS2 and molecular weight 338.10 g/mol. IUPAC: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB01302999-01
Property Insights of AB01302999-01
The XLogP value of 2.5379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01302999-01. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01302999-01. Following Lipinski's Rule of Five, AB01302999-01 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 AB01302999-01?
The CAS number of AB01302999-01 is 894149-71-4.
What is the molecular formula of AB01302999-01?
The molecular formula of AB01302999-01 is C13H18N6OS2.
What is the molecular weight of AB01302999-01?
The molecular weight of AB01302999-01 is 338.10 g/mol.
Where can I buy AB01302999-01?
You can request a quote for AB01302999-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01302999-01?
Yes, KEHONG BIO provides custom synthesis services for AB01302999-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.