ASN 03939987
TL;DR: ASN 03939987 (CAS 557059-66-2) is a chemical compound with molecular formula C16H17N5O2S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: ASN 03939987, 2-((5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-(5-methyl-3-isoxazolyl)acetamide, 2-(5-Benzyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide, 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C16H17N5O2S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 2.43312 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.1103 |
| Heavy Atoms | 24 |
| Complexity | 828.1227 |
Chemical Identifiers
| CAS Number | 557059-66-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3 |
Product Overview
ASN 03939987 (CAS 557059-66-2), with molecular formula C16H17N5O2S and molecular weight 343.11 g/mol. IUPAC: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of ASN 03939987
Property Insights of ASN 03939987
The XLogP value of 2.43312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 03939987. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 03939987. Following Lipinski's Rule of Five, ASN 03939987 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 ASN 03939987?
The CAS number of ASN 03939987 is 557059-66-2.
What is the molecular formula of ASN 03939987?
The molecular formula of ASN 03939987 is C16H17N5O2S.
What is the molecular weight of ASN 03939987?
The molecular weight of ASN 03939987 is 343.11 g/mol.
Where can I buy ASN 03939987?
You can request a quote for ASN 03939987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 03939987?
Yes, KEHONG BIO provides custom synthesis services for ASN 03939987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.