C17H13ClN4OS
TL;DR: C17H13ClN4OS (CAS 877789-40-7) is a chemical compound with molecular formula C17H13ClN4OS and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-(2-chlorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 1-[6-(2-chlorophenyl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-3-yl)]-2-methox ybenzene
| Molecular Formula | C17H13ClN4OS |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 3.9652 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.04987 |
| Heavy Atoms | 24 |
| Complexity | 937.8449 |
Chemical Identifiers
| CAS Number | 877789-40-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C3N2N=C(CS3)C4=CC=CC=C4Cl |
Product Overview
C17H13ClN4OS (CAS 877789-40-7), with molecular formula C17H13ClN4OS and molecular weight 356.05 g/mol. IUPAC: 6-(2-chlorophenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of C17H13ClN4OS
Property Insights of C17H13ClN4OS
The XLogP value of 3.9652 indicates that C17H13ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, C17H13ClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H13ClN4OS has 0 hydrogen bond donor(s) and 5 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 C17H13ClN4OS?
The CAS number of C17H13ClN4OS is 877789-40-7.
What is the molecular formula of C17H13ClN4OS?
The molecular formula of C17H13ClN4OS is C17H13ClN4OS.
What is the molecular weight of C17H13ClN4OS?
The molecular weight of C17H13ClN4OS is 356.05 g/mol.
Where can I buy C17H13ClN4OS?
You can request a quote for C17H13ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H13ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C17H13ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.