AB00122333-01
TL;DR: AB00122333-01 (CAS 354125-75-0) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 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]-1-(4-nitrophenyl)ethanone
Also Known As: AB00122333-01, 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone, AN-988/37365043, AN-988/40838307, 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-nitrophenyl}ethanone
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.9475 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 951.5346 |
Chemical Identifiers
| CAS Number | 354125-75-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N |
Product Overview
AB00122333-01 (CAS 354125-75-0), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of AB00122333-01
Property Insights of AB00122333-01
The XLogP value of 2.9475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00122333-01. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122333-01. Following Lipinski's Rule of Five, AB00122333-01 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 AB00122333-01?
The CAS number of AB00122333-01 is 354125-75-0.
What is the molecular formula of AB00122333-01?
The molecular formula of AB00122333-01 is C17H15N5O3S.
What is the molecular weight of AB00122333-01?
The molecular weight of AB00122333-01 is 369.09 g/mol.
Where can I buy AB00122333-01?
You can request a quote for AB00122333-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122333-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122333-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.