AB00672421-01
TL;DR: AB00672421-01 (CAS 394236-69-2) is a chemical compound with molecular formula C12H18N6OS2 and molecular weight 326.10 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)butanamide
Also Known As: AB00672421-01, F0748-0407, 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)butanamide, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
| Molecular Formula | C12H18N6OS2 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 2.2994 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.09836 |
| Heavy Atoms | 21 |
| Complexity | 608.41943 |
Chemical Identifiers
| CAS Number | 394236-69-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C(C)C)SC2=NN=CN2C |
Product Overview
AB00672421-01 (CAS 394236-69-2), with molecular formula C12H18N6OS2 and molecular weight 326.10 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
Chemical Property Profile of AB00672421-01
Property Insights of AB00672421-01
The XLogP value of 2.2994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672421-01. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672421-01. Following Lipinski's Rule of Five, AB00672421-01 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 AB00672421-01?
The CAS number of AB00672421-01 is 394236-69-2.
What is the molecular formula of AB00672421-01?
The molecular formula of AB00672421-01 is C12H18N6OS2.
What is the molecular weight of AB00672421-01?
The molecular weight of AB00672421-01 is 326.10 g/mol.
Where can I buy AB00672421-01?
You can request a quote for AB00672421-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672421-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672421-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.