ChemDiv3_002143
TL;DR: ChemDiv3_002143 (CAS 332074-31-4) is a chemical compound with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4,4,8-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)phenyl]acetamide
Also Known As: ChemDiv3_002143, BAS 00916267, N-[4-(4,4,8-trimethyl-1-thioxo-4,5-dihydroisothiazolo[5,4-c]quinolin-2(1H)-yl)phenyl]acetamide, AN-512/12674105, N-[4-(4,4,8-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)phenyl]acetamide
| Molecular Formula | C21H21N3OS2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 5.86271 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.1126 |
| Heavy Atoms | 27 |
| Complexity | 1107.4457 |
Chemical Identifiers
| CAS Number | 332074-31-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C3=C2C(=S)N(S3)C4=CC=C(C=C4)NC(=O)C)(C)C |
Product Overview
ChemDiv3_002143 (CAS 332074-31-4), with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol. IUPAC: N-[4-(4,4,8-trimethyl-1-sulfanylidene-5H-[1,2]thiazolo[5,4-c]quinolin-2-yl)phenyl]acetamide.
Chemical Property Profile of ChemDiv3_002143
Property Insights of ChemDiv3_002143
The XLogP value of 5.86271 indicates that ChemDiv3_002143 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, ChemDiv3_002143 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002143 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002143?
The CAS number of ChemDiv3_002143 is 332074-31-4.
What is the molecular formula of ChemDiv3_002143?
The molecular formula of ChemDiv3_002143 is C21H21N3OS2.
What is the molecular weight of ChemDiv3_002143?
The molecular weight of ChemDiv3_002143 is 395.11 g/mol.
Where can I buy ChemDiv3_002143?
You can request a quote for ChemDiv3_002143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002143?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.