ChemDiv1_023713
TL;DR: ChemDiv1_023713 (CAS 331841-10-2) is a chemical compound with molecular formula C20H19ClN2S2 and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylphenyl)-4,4,7-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: ChemDiv1_023713, BAS 00619928, 2-(3-chloro-4-methylphenyl)-4,4,7-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3-chloro-4-methylphenyl)-4,4,7-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(3-CHLORO-4-METHYLPHENYL)-4,4,7-TRIMETHYL-1H,2H,4H,5H-[1,2]THIAZOLO[5,4-C]QUINOLINE-1-THIONE
| Molecular Formula | C20H19ClN2S2 |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 6.86613 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.0678 |
| Heavy Atoms | 25 |
| Complexity | 1060.0435 |
Chemical Identifiers
| CAS Number | 331841-10-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2)(C)C)SN(C3=S)C4=CC(=C(C=C4)C)Cl |
Product Overview
ChemDiv1_023713 (CAS 331841-10-2), with molecular formula C20H19ClN2S2 and molecular weight 386.07 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)-4,4,7-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of ChemDiv1_023713
Property Insights of ChemDiv1_023713
The XLogP value of 6.86613 indicates that ChemDiv1_023713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.96 Ų, ChemDiv1_023713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023713 has 1 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_023713?
The CAS number of ChemDiv1_023713 is 331841-10-2.
What is the molecular formula of ChemDiv1_023713?
The molecular formula of ChemDiv1_023713 is C20H19ClN2S2.
What is the molecular weight of ChemDiv1_023713?
The molecular weight of ChemDiv1_023713 is 386.07 g/mol.
Where can I buy ChemDiv1_023713?
You can request a quote for ChemDiv1_023713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023713?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.