Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate
TL;DR: Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate (CAS 794552-45-7) is a chemical compound with molecular formula C16H12FNO3S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate
Also Known As: quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate, quinolin-8-yl 4-fluoro-3-methylbenzene-1-sulfonate, 8-quinolinyl 4-fluoro-3-methylbenzenesulfonate, F1560-1159, AQ-390/42698716
| Molecular Formula | C16H12FNO3S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.45002 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0522 |
| Heavy Atoms | 22 |
| Complexity | 949.2671 |
Chemical Identifiers
| CAS Number | 794552-45-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)F |
Product Overview
Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate (CAS 794552-45-7), with molecular formula C16H12FNO3S and molecular weight 317.05 g/mol. IUPAC: quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate.
Chemical Property Profile of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate
Property Insights of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate
The XLogP value of 3.45002 indicates that Quinolin-8-yl 4-fluoro-3-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, Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-8-yl 4-fluoro-3-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 Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate?
The CAS number of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate is 794552-45-7.
What is the molecular formula of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate?
The molecular formula of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate is C16H12FNO3S.
What is the molecular weight of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate?
The molecular weight of Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate is 317.05 g/mol.
Where can I buy Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate?
You can request a quote for Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate 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 4-fluoro-3-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 4-fluoro-3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.