4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
TL;DR: 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester (CAS 255375-74-7) is a chemical compound with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromobenzenesulfonate
Also Known As: BAS 00584625, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-bromobenzenesulfonate, 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester, (2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromobenzenesulfonate, 2,2,4-trimethyl-6-1,2-dihydroquinolyl 4-bromobenzenesulfonate
| Molecular Formula | C18H18BrNO3S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 4.8242 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.01907 |
| Heavy Atoms | 24 |
| Complexity | 915.7801 |
Chemical Identifiers
| CAS Number | 255375-74-7 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)(C)C |
Product Overview
4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester (CAS 255375-74-7), with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromobenzenesulfonate.
Chemical Property Profile of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
Property Insights of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
The XLogP value of 4.8242 indicates that 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester has 1 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 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The CAS number of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is 255375-74-7.
What is the molecular formula of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The molecular formula of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is C18H18BrNO3S.
What is the molecular weight of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
The molecular weight of 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester is 407.02 g/mol.
Where can I buy 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
You can request a quote for 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-benzenesulfonic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.