ChemDiv1_023918
TL;DR: ChemDiv1_023918 (CAS 331973-63-8) is a chemical compound with molecular formula C16H15NOS3 and molecular weight 333.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: ChemDiv1_023918, BAS 00721943, 1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C16H15NOS3 |
|---|---|
| Molecular Weight | 333.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.0316 |
| Heavy Atoms | 21 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 331973-63-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C=C)(C)C)SSC3=S |
| InChIKey | OILWBRHWPVXHHN-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023918 (CAS 331973-63-8), with molecular formula C16H15NOS3 and molecular weight 333.03 g/mol. IUPAC: 1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of ChemDiv1_023918
Property Insights of ChemDiv1_023918
The XLogP value of 3.3 indicates that ChemDiv1_023918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023918. Following Lipinski's Rule of Five, ChemDiv1_023918 has 0 hydrogen bond donor(s) and 4 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_023918?
The CAS number of ChemDiv1_023918 is 331973-63-8.
What is the molecular formula of ChemDiv1_023918?
The molecular formula of ChemDiv1_023918 is C16H15NOS3.
What is the molecular weight of ChemDiv1_023918?
The molecular weight of ChemDiv1_023918 is 333.03 g/mol.
Where can I buy ChemDiv1_023918?
You can request a quote for ChemDiv1_023918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023918?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.