3H-002
TL;DR: 3H-002 (CAS 321570-97-2) is a chemical compound with molecular formula C15H7Cl3F3N3O2S and molecular weight 454.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[1-(2,4-dichlorophenyl)sulfonylpyrazol-4-yl]-5-(trifluoromethyl)pyridine
Also Known As: 3H-002, 3-chloro-2-{1-[(2,4-dichlorophenyl)sulfonyl]-1H-pyrazol-4-yl}-5-(trifluoromethyl)pyridine, 3-chloro-2-[1-(2,4-dichlorophenyl)sulfonylpyrazol-4-yl]-5-(trifluoromethyl)pyridine, 3-chloro-2-[1-(2,4-dichlorobenzenesulfonyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C15H7Cl3F3N3O2S |
|---|---|
| Molecular Weight | 454.93 g/mol |
| LogP | 5.1611 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.92767 |
| Heavy Atoms | 27 |
| Complexity | 1130.8212 |
Chemical Identifiers
| CAS Number | 321570-97-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2C=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-002 (CAS 321570-97-2), with molecular formula C15H7Cl3F3N3O2S and molecular weight 454.93 g/mol. IUPAC: 3-chloro-2-[1-(2,4-dichlorophenyl)sulfonylpyrazol-4-yl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3H-002
Property Insights of 3H-002
The XLogP value of 5.1611 indicates that 3H-002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-002. Following Lipinski's Rule of Five, 3H-002 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-002?
The CAS number of 3H-002 is 321570-97-2.
What is the molecular formula of 3H-002?
The molecular formula of 3H-002 is C15H7Cl3F3N3O2S.
What is the molecular weight of 3H-002?
The molecular weight of 3H-002 is 454.93 g/mol.
Where can I buy 3H-002?
You can request a quote for 3H-002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-002?
Yes, KEHONG BIO provides custom synthesis services for 3H-002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.