ChemDiv1_022613
TL;DR: ChemDiv1_022613 (CAS 351337-98-9) is a chemical compound with molecular formula C18H21NOS3 and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one
Also Known As: ChemDiv1_022613, DivK1c_003877, CDS1_002837, 4,4,8-trimethyl-5-(2-methylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 2-methyl-1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
| Molecular Formula | C18H21NOS3 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.14231 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.07852 |
| Heavy Atoms | 23 |
| Complexity | 831.03253 |
Chemical Identifiers
| CAS Number | 351337-98-9 |
|---|---|
| SMILES | CCC(C)C(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SSC3=S |
Product Overview
ChemDiv1_022613 (CAS 351337-98-9), with molecular formula C18H21NOS3 and molecular weight 363.08 g/mol. IUPAC: 2-methyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one.
Chemical Property Profile of ChemDiv1_022613
Property Insights of ChemDiv1_022613
The XLogP value of 6.14231 indicates that ChemDiv1_022613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_022613 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022613 has 0 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 ChemDiv1_022613?
The CAS number of ChemDiv1_022613 is 351337-98-9.
What is the molecular formula of ChemDiv1_022613?
The molecular formula of ChemDiv1_022613 is C18H21NOS3.
What is the molecular weight of ChemDiv1_022613?
The molecular weight of ChemDiv1_022613 is 363.08 g/mol.
Where can I buy ChemDiv1_022613?
You can request a quote for ChemDiv1_022613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022613?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.