BAS 00584658
TL;DR: BAS 00584658 (CAS 316360-79-9) is a chemical compound with molecular formula C25H27NO2S and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinoline
Also Known As: BAS 00584658, 1-(benzenesulfonyl)-2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinoline, 1-Benzenesulfonyl-2,2,4-trimethyl-4-p-tolyl-1,2,3,4-tetrahydro-quinoline, 2,2,4-trimethyl-1-(phenylsulfonyl)-4-(p-tolyl)-1,2,3,4-tetrahydroquinoline, 2,2,4-trimethyl-4-(4-methylphenyl)-1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C25H27NO2S |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 5.67862 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.17624 |
| Heavy Atoms | 29 |
| Complexity | 1134.9556 |
Chemical Identifiers
| CAS Number | 316360-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)(C)C)C |
Product Overview
BAS 00584658 (CAS 316360-79-9), with molecular formula C25H27NO2S and molecular weight 405.18 g/mol. IUPAC: 1-(benzenesulfonyl)-2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinoline.
Chemical Property Profile of BAS 00584658
Property Insights of BAS 00584658
The XLogP value of 5.67862 indicates that BAS 00584658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00584658 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00584658 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584658?
The CAS number of BAS 00584658 is 316360-79-9.
What is the molecular formula of BAS 00584658?
The molecular formula of BAS 00584658 is C25H27NO2S.
What is the molecular weight of BAS 00584658?
The molecular weight of BAS 00584658 is 405.18 g/mol.
Where can I buy BAS 00584658?
You can request a quote for BAS 00584658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584658?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.