ChemDiv1_022691
TL;DR: ChemDiv1_022691 (CAS 332898-08-5) is a chemical compound with molecular formula C20H23NO3S4 and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-oxo-2-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]sulfanylacetate
Also Known As: ChemDiv1_022691, DivK1c_003955, CDS1_002915, BAS 01173457, ethyl 2-[2-oxo-2-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]sulfanylacetate
| Molecular Formula | C20H23NO3S4 |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 5.70093 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.0561 |
| Heavy Atoms | 28 |
| Complexity | 989.8224 |
Chemical Identifiers
| CAS Number | 332898-08-5 |
|---|---|
| SMILES | CCOC(=O)CSCC(=O)N1C2=C(C=C(C(=C2)C)C)C3=C(C1(C)C)SSC3=S |
Product Overview
ChemDiv1_022691 (CAS 332898-08-5), with molecular formula C20H23NO3S4 and molecular weight 453.06 g/mol. IUPAC: ethyl 2-[2-oxo-2-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]sulfanylacetate.
Chemical Property Profile of ChemDiv1_022691
Property Insights of ChemDiv1_022691
The XLogP value of 5.70093 indicates that ChemDiv1_022691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ChemDiv1_022691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022691 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022691?
The CAS number of ChemDiv1_022691 is 332898-08-5.
What is the molecular formula of ChemDiv1_022691?
The molecular formula of ChemDiv1_022691 is C20H23NO3S4.
What is the molecular weight of ChemDiv1_022691?
The molecular weight of ChemDiv1_022691 is 453.06 g/mol.
Where can I buy ChemDiv1_022691?
You can request a quote for ChemDiv1_022691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022691?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.