Quinolin-8-yl 2,5-dimethylbenzenesulfonate
TL;DR: Quinolin-8-yl 2,5-dimethylbenzenesulfonate (CAS 313250-87-2) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2,5-dimethylbenzenesulfonate
Also Known As: quinolin-8-yl 2,5-dimethylbenzenesulfonate, quinolin-8-yl 2,5-dimethylbenzene-1-sulfonate, BAS 00521152, 8-quinolyl 2,5-dimethylbenzenesulfonate, 2,5-Dimethyl-benzenesulfonic acid quinolin-8-yl ester
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.61934 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 943.7802 |
Chemical Identifiers
| CAS Number | 313250-87-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3 |
Product Overview
Quinolin-8-yl 2,5-dimethylbenzenesulfonate (CAS 313250-87-2), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: quinolin-8-yl 2,5-dimethylbenzenesulfonate.
Chemical Property Profile of Quinolin-8-yl 2,5-dimethylbenzenesulfonate
Property Insights of Quinolin-8-yl 2,5-dimethylbenzenesulfonate
The XLogP value of 3.61934 indicates that Quinolin-8-yl 2,5-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Quinolin-8-yl 2,5-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-8-yl 2,5-dimethylbenzenesulfonate 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 Quinolin-8-yl 2,5-dimethylbenzenesulfonate?
The CAS number of Quinolin-8-yl 2,5-dimethylbenzenesulfonate is 313250-87-2.
What is the molecular formula of Quinolin-8-yl 2,5-dimethylbenzenesulfonate?
The molecular formula of Quinolin-8-yl 2,5-dimethylbenzenesulfonate is C17H15NO3S.
What is the molecular weight of Quinolin-8-yl 2,5-dimethylbenzenesulfonate?
The molecular weight of Quinolin-8-yl 2,5-dimethylbenzenesulfonate is 313.08 g/mol.
Where can I buy Quinolin-8-yl 2,5-dimethylbenzenesulfonate?
You can request a quote for Quinolin-8-yl 2,5-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 2,5-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 2,5-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.