5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate
TL;DR: 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 219928-65-1) is a chemical compound with molecular formula C12H10ClNO3S and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-3-pyridinyl) 4-methylbenzenesulfonate
Also Known As: 5-chloropyridin-3-yl 4-methylbenzene-1-sulfonate, (5-chloropyridin-3-yl) 4-methylbenzenesulfonate
| Molecular Formula | C12H10ClNO3S |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 2.81112 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.007 |
| Heavy Atoms | 18 |
| Complexity | 653.27765 |
Chemical Identifiers
| CAS Number | 219928-65-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CN=C2)Cl |
Product Overview
5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate (CAS 219928-65-1), with molecular formula C12H10ClNO3S and molecular weight 283.01 g/mol. IUPAC: (5-chloro-3-pyridinyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate
Property Insights of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 2.81112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 56.26 Ų, 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate 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 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate is 219928-65-1.
What is the molecular formula of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate is C12H10ClNO3S.
What is the molecular weight of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate is 283.01 g/mol.
Where can I buy 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloropyridin-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.