ChemDiv1_023892
TL;DR: ChemDiv1_023892 (CAS 330643-61-3) is a chemical compound with molecular formula C28H28N2S2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(3,4-dimethylphenyl)-4,4,8-trimethyl-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: ChemDiv1_023892, BAS 01045233, 5-benzyl-2-(3,4-dimethylphenyl)-4,4,8-trimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione, 5-benzyl-2-(3,4-dimethylphenyl)-4,4,8-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 5-benzyl-2-(3,4-dimethylphenyl)-4,4,8-trimethyl-[1,2]thiazolo[5,4-c]quinoline-1-thione
| Molecular Formula | C28H28N2S2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 8.11585 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.1694 |
| Heavy Atoms | 32 |
| Complexity | 1376.5604 |
Chemical Identifiers
| CAS Number | 330643-61-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)N(S3)C4=CC(=C(C=C4)C)C)(C)C)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_023892 (CAS 330643-61-3), with molecular formula C28H28N2S2 and molecular weight 456.17 g/mol. IUPAC: 5-benzyl-2-(3,4-dimethylphenyl)-4,4,8-trimethyl-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of ChemDiv1_023892
Property Insights of ChemDiv1_023892
The XLogP value of 8.11585 indicates that ChemDiv1_023892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, ChemDiv1_023892 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023892 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023892?
The CAS number of ChemDiv1_023892 is 330643-61-3.
What is the molecular formula of ChemDiv1_023892?
The molecular formula of ChemDiv1_023892 is C28H28N2S2.
What is the molecular weight of ChemDiv1_023892?
The molecular weight of ChemDiv1_023892 is 456.17 g/mol.
Where can I buy ChemDiv1_023892?
You can request a quote for ChemDiv1_023892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023892?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.