AB00680497-01
TL;DR: AB00680497-01 (CAS 688792-16-7) is a chemical compound with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: AB00680497-01, 3-(3-methoxyphenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-methoxy-1-[6-(3-nitrophenyl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-3-yl)] benzene
| Molecular Formula | C17H13N5O3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 3.22 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0739 |
| Heavy Atoms | 26 |
| Complexity | 1030.7428 |
Chemical Identifiers
| CAS Number | 688792-16-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00680497-01 (CAS 688792-16-7), with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol. IUPAC: 3-(3-methoxyphenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of AB00680497-01
Property Insights of AB00680497-01
The XLogP value of 3.22 indicates that AB00680497-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680497-01. Following Lipinski's Rule of Five, AB00680497-01 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 AB00680497-01?
The CAS number of AB00680497-01 is 688792-16-7.
What is the molecular formula of AB00680497-01?
The molecular formula of AB00680497-01 is C17H13N5O3S.
What is the molecular weight of AB00680497-01?
The molecular weight of AB00680497-01 is 367.07 g/mol.
Where can I buy AB00680497-01?
You can request a quote for AB00680497-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680497-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680497-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.