2-Cyanophenyl 6-chloropyridine-3-sulfonate
TL;DR: 2-Cyanophenyl 6-chloropyridine-3-sulfonate (CAS 1001541-45-2) is a chemical compound with molecular formula C12H7ClN2O3S and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl) 6-chloropyridine-3-sulfonate
Also Known As: 2-cyanophenyl 6-chloropyridine-3-sulfonate, (2-cyanophenyl) 6-chloropyridine-3-sulfonate
| Molecular Formula | C12H7ClN2O3S |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 2.37438 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.9866 |
| Heavy Atoms | 19 |
| Complexity | 736.31494 |
Chemical Identifiers
| CAS Number | 1001541-45-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OS(=O)(=O)C2=CN=C(C=C2)Cl |
Product Overview
2-Cyanophenyl 6-chloropyridine-3-sulfonate (CAS 1001541-45-2), with molecular formula C12H7ClN2O3S and molecular weight 293.99 g/mol. IUPAC: (2-cyanophenyl) 6-chloropyridine-3-sulfonate.
Chemical Property Profile of 2-Cyanophenyl 6-chloropyridine-3-sulfonate
Property Insights of 2-Cyanophenyl 6-chloropyridine-3-sulfonate
The XLogP value of 2.37438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanophenyl 6-chloropyridine-3-sulfonate. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanophenyl 6-chloropyridine-3-sulfonate. Following Lipinski's Rule of Five, 2-Cyanophenyl 6-chloropyridine-3-sulfonate 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 2-Cyanophenyl 6-chloropyridine-3-sulfonate?
The CAS number of 2-Cyanophenyl 6-chloropyridine-3-sulfonate is 1001541-45-2.
What is the molecular formula of 2-Cyanophenyl 6-chloropyridine-3-sulfonate?
The molecular formula of 2-Cyanophenyl 6-chloropyridine-3-sulfonate is C12H7ClN2O3S.
What is the molecular weight of 2-Cyanophenyl 6-chloropyridine-3-sulfonate?
The molecular weight of 2-Cyanophenyl 6-chloropyridine-3-sulfonate is 293.99 g/mol.
Where can I buy 2-Cyanophenyl 6-chloropyridine-3-sulfonate?
You can request a quote for 2-Cyanophenyl 6-chloropyridine-3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanophenyl 6-chloropyridine-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanophenyl 6-chloropyridine-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.