9H-436S
TL;DR: 9H-436S (CAS 400089-23-8) is a chemical compound with molecular formula C15H10ClF3N4O2S and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole
Also Known As: 9H-436S, 5-[2-chloro-4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole, 5-(2-chloro-4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole, 5-(2-chloro-4-methanesulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole, 5-(2-chloro-4-methanesulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrazole
| Molecular Formula | C15H10ClF3N4O2S |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 3.405 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0165 |
| Heavy Atoms | 26 |
| Complexity | 1080.4907 |
Chemical Identifiers
| CAS Number | 400089-23-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C2=NN=NN2C3=CC=CC(=C3)C(F)(F)F)Cl |
Product Overview
9H-436S (CAS 400089-23-8), with molecular formula C15H10ClF3N4O2S and molecular weight 402.02 g/mol. IUPAC: 5-(2-chloro-4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]tetrazole.
Chemical Property Profile of 9H-436S
Property Insights of 9H-436S
The XLogP value of 3.405 indicates that 9H-436S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-436S. Following Lipinski's Rule of Five, 9H-436S 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 9H-436S?
The CAS number of 9H-436S is 400089-23-8.
What is the molecular formula of 9H-436S?
The molecular formula of 9H-436S is C15H10ClF3N4O2S.
What is the molecular weight of 9H-436S?
The molecular weight of 9H-436S is 402.02 g/mol.
Where can I buy 9H-436S?
You can request a quote for 9H-436S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-436S?
Yes, KEHONG BIO provides custom synthesis services for 9H-436S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.