AB00431522-05
TL;DR: AB00431522-05 (CAS 394233-93-3) is a chemical compound with molecular formula C11H16N6OS2 and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: AB00431522-05, F0748-0217, 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamide, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
| Molecular Formula | C11H16N6OS2 |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 1.9093 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0827 |
| Heavy Atoms | 20 |
| Complexity | 593.25757 |
Chemical Identifiers
| CAS Number | 394233-93-3 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)C(C)SC2=NN=CN2C |
Product Overview
AB00431522-05 (CAS 394233-93-3), with molecular formula C11H16N6OS2 and molecular weight 312.08 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of AB00431522-05
Property Insights of AB00431522-05
The XLogP value of 1.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431522-05. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431522-05. Following Lipinski's Rule of Five, AB00431522-05 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 AB00431522-05?
The CAS number of AB00431522-05 is 394233-93-3.
What is the molecular formula of AB00431522-05?
The molecular formula of AB00431522-05 is C11H16N6OS2.
What is the molecular weight of AB00431522-05?
The molecular weight of AB00431522-05 is 312.08 g/mol.
Where can I buy AB00431522-05?
You can request a quote for AB00431522-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431522-05?
Yes, KEHONG BIO provides custom synthesis services for AB00431522-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.