(2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid
TL;DR: (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid (CAS 75903-70-7) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1H-quinolin-4-yl)methanesulfonic acid
Also Known As: CH 402, (2,2-Dimethyl-1,2-dihydroquinolin-4-yl)methanesulfonic acid, (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonic Acid, (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid, 1,2-Dihydro-2,2-dimethylquinoline-4-methanesulfonic acid
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 75903-70-7 |
|---|---|
| SMILES | CC1(C=C(C2=CC=CC=C2N1)CS(=O)(=O)O)C |
| InChIKey | GUNHIIHGOPJGMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid (CAS 75903-70-7), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: (2,2-dimethyl-1H-quinolin-4-yl)methanesulfonic acid.
Chemical Property Profile of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid
Property Insights of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid. Following Lipinski's Rule of Five, (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid has 2 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 (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid?
The CAS number of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid is 75903-70-7.
What is the molecular formula of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid?
The molecular formula of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid is C12H15NO3S.
What is the molecular weight of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid?
The molecular weight of (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid is 253.08 g/mol.
Where can I buy (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid?
You can request a quote for (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dimethyl-1,2-dihydroquinoline-4-yl)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.