AN-988/37365053
TL;DR: AN-988/37365053 (CAS 354125-80-7) is a chemical compound with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: AN-988/37365053, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{3-nitrophenyl}acetamide, Cambridge id 6430579
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 2.7033 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 986.58875 |
Chemical Identifiers
| CAS Number | 354125-80-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N |
Product Overview
AN-988/37365053 (CAS 354125-80-7), with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of AN-988/37365053
Property Insights of AN-988/37365053
The XLogP value of 2.7033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/37365053. The TPSA of 128.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/37365053. Following Lipinski's Rule of Five, AN-988/37365053 has 2 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 AN-988/37365053?
The CAS number of AN-988/37365053 is 354125-80-7.
What is the molecular formula of AN-988/37365053?
The molecular formula of AN-988/37365053 is C17H16N6O3S.
What is the molecular weight of AN-988/37365053?
The molecular weight of AN-988/37365053 is 384.10 g/mol.
Where can I buy AN-988/37365053?
You can request a quote for AN-988/37365053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/37365053?
Yes, KEHONG BIO provides custom synthesis services for AN-988/37365053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.