ChemDiv1_023110
TL;DR: ChemDiv1_023110 (CAS 376604-00-1) is a chemical compound with molecular formula C17H17NO3S3 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)acetate
Also Known As: ChemDiv1_023110, A2329/0098268, ethyl 2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)acetate, ethyl oxo(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)acetate, ethyl 2-oxo-2-(4,4,6-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quino lin-5-yl))acetate
| Molecular Formula | C17H17NO3S3 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 4.65931 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.03705 |
| Heavy Atoms | 24 |
| Complexity | 894.726 |
Chemical Identifiers
| CAS Number | 376604-00-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1C2=C(C=CC=C2C3=C(C1(C)C)SSC3=S)C |
Product Overview
ChemDiv1_023110 (CAS 376604-00-1), with molecular formula C17H17NO3S3 and molecular weight 379.04 g/mol. IUPAC: ethyl 2-oxo-2-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)acetate.
Chemical Property Profile of ChemDiv1_023110
Property Insights of ChemDiv1_023110
The XLogP value of 4.65931 indicates that ChemDiv1_023110 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_023110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023110 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_023110?
The CAS number of ChemDiv1_023110 is 376604-00-1.
What is the molecular formula of ChemDiv1_023110?
The molecular formula of ChemDiv1_023110 is C17H17NO3S3.
What is the molecular weight of ChemDiv1_023110?
The molecular weight of ChemDiv1_023110 is 379.04 g/mol.
Where can I buy ChemDiv1_023110?
You can request a quote for ChemDiv1_023110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.