ChemDiv1_022649
TL;DR: ChemDiv1_022649 (CAS 4531-91-3) is a chemical compound with molecular formula C16H15NO3S3 and molecular weight 365.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate
Also Known As: ChemDiv1_022649, DivK1c_003913, CDS1_002873, ethyl (4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(oxo)acetate, ethyl 2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate
| Molecular Formula | C16H15NO3S3 |
|---|---|
| Molecular Weight | 365.02 g/mol |
| LogP | 4.35089 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.0214 |
| Heavy Atoms | 23 |
| Complexity | 850.2505 |
Chemical Identifiers
| CAS Number | 4531-91-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SSC3=S |
Product Overview
ChemDiv1_022649 (CAS 4531-91-3), with molecular formula C16H15NO3S3 and molecular weight 365.02 g/mol. IUPAC: ethyl 2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoacetate.
Chemical Property Profile of ChemDiv1_022649
Property Insights of ChemDiv1_022649
The XLogP value of 4.35089 indicates that ChemDiv1_022649 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_022649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022649 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022649?
The CAS number of ChemDiv1_022649 is 4531-91-3.
What is the molecular formula of ChemDiv1_022649?
The molecular formula of ChemDiv1_022649 is C16H15NO3S3.
What is the molecular weight of ChemDiv1_022649?
The molecular weight of ChemDiv1_022649 is 365.02 g/mol.
Where can I buy ChemDiv1_022649?
You can request a quote for ChemDiv1_022649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022649?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.