AB00685886-01
TL;DR: AB00685886-01 (CAS 496776-22-8) is a chemical compound with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: AB00685886-01, F1308-0033, 3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C17H14N4O4S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 3.4113 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.07358 |
| Heavy Atoms | 26 |
| Complexity | 971.3943 |
Chemical Identifiers
| CAS Number | 496776-22-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00685886-01 (CAS 496776-22-8), with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of AB00685886-01
Property Insights of AB00685886-01
The XLogP value of 3.4113 indicates that AB00685886-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685886-01. Following Lipinski's Rule of Five, AB00685886-01 has 0 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 AB00685886-01?
The CAS number of AB00685886-01 is 496776-22-8.
What is the molecular formula of AB00685886-01?
The molecular formula of AB00685886-01 is C17H14N4O4S.
What is the molecular weight of AB00685886-01?
The molecular weight of AB00685886-01 is 370.07 g/mol.
Where can I buy AB00685886-01?
You can request a quote for AB00685886-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685886-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685886-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.