BAS 00668017
TL;DR: BAS 00668017 (CAS 5850-43-1) is a chemical compound with molecular formula C17H19NO2S and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
Also Known As: BAS 00668017, C.I. Mordant Red 44, disodium salt, 1-(3,4-Dimethyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline, 1-[(3,4-dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline, 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
| Molecular Formula | C17H19NO2S |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.11365 |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 5850-43-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C |
| InChIKey | ZKNSLVVQAACIFE-UHFFFAOYSA-N |
Product Overview
BAS 00668017 (CAS 5850-43-1), with molecular formula C17H19NO2S and molecular weight 301.11 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
Chemical Property Profile of BAS 00668017
Property Insights of BAS 00668017
The XLogP value of 3.7 indicates that BAS 00668017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, BAS 00668017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00668017 has 0 hydrogen bond donor(s) and 3 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 BAS 00668017?
The CAS number of BAS 00668017 is 5850-43-1.
What is the molecular formula of BAS 00668017?
The molecular formula of BAS 00668017 is C17H19NO2S.
What is the molecular weight of BAS 00668017?
The molecular weight of BAS 00668017 is 301.11 g/mol.
Where can I buy BAS 00668017?
You can request a quote for BAS 00668017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00668017?
Yes, KEHONG BIO provides custom synthesis services for BAS 00668017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.