2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate
TL;DR: 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate (CAS 325811-91-4) is a chemical compound with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 5-chloro-2-methylbenzenesulfonate
Also Known As: 2-methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate, 2-methylquinolin-8-yl 5-chloro-2-methylbenzenesulfonate, (2-methylquinolin-8-yl) 5-chloro-2-methylbenzenesulfonate, 2-methylquinolin-8-yl 5-chloro-2-methylbenzene-1-sulfonate, A2153/0090429
| Molecular Formula | C17H14ClNO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 4.27274 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0383 |
| Heavy Atoms | 23 |
| Complexity | 999.8912 |
Chemical Identifiers
| CAS Number | 325811-91-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C |
Product Overview
2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate (CAS 325811-91-4), with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol. IUPAC: (2-methylquinolin-8-yl) 5-chloro-2-methylbenzenesulfonate.
Chemical Property Profile of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate
Property Insights of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate
The XLogP value of 4.27274 indicates that 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate 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-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate 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-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate?
The CAS number of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate is 325811-91-4.
What is the molecular formula of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate?
The molecular formula of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate is C17H14ClNO3S.
What is the molecular weight of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate?
The molecular weight of 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate is 347.04 g/mol.
Where can I buy 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate?
You can request a quote for 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolyl 5-chloro-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.