2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate
TL;DR: 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate (CAS 219930-36-6) is a chemical compound with molecular formula C12H7ClF3NO3S and molecular weight 336.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-3-pyridinyl) 4-(trifluoromethyl)benzenesulfonate
Also Known As: 2-chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate, (2-chloropyridin-3-yl) 4-(trifluoromethyl)benzenesulfonate, 2-chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulfonate, 2-chloropyridin-3-yl 4-(trifluoromethyl)benzenesulfonate
| Molecular Formula | C12H7ClF3NO3S |
|---|---|
| Molecular Weight | 336.98 g/mol |
| LogP | 3.5215 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.97873 |
| Heavy Atoms | 21 |
| Complexity | 745.08813 |
Chemical Identifiers
| CAS Number | 219930-36-6 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate (CAS 219930-36-6), with molecular formula C12H7ClF3NO3S and molecular weight 336.98 g/mol. IUPAC: (2-chloro-3-pyridinyl) 4-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate
Property Insights of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate
The XLogP value of 3.5215 indicates that 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate has 0 hydrogen bond donor(s) and 4 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 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate?
The CAS number of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate is 219930-36-6.
What is the molecular formula of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate?
The molecular formula of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate is C12H7ClF3NO3S.
What is the molecular weight of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate?
The molecular weight of 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate is 336.98 g/mol.
Where can I buy 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate?
You can request a quote for 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.