ChemDiv1_022849
TL;DR: ChemDiv1_022849 (CAS 301655-72-1) 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.
1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)pentan-1-one
Also Known As: ChemDiv1_022849, DivK1c_004113, CDS1_003073, BAS 00126922, 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)pentan-1-one
| Molecular Formula | C18H21NOS3 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.28641 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.07852 |
| Heavy Atoms | 23 |
| Complexity | 815.9144 |
Chemical Identifiers
| CAS Number | 301655-72-1 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SSC3=S |
Product Overview
ChemDiv1_022849 (CAS 301655-72-1), with molecular formula C18H21NOS3 and molecular weight 363.08 g/mol. IUPAC: 1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)pentan-1-one.
Chemical Property Profile of ChemDiv1_022849
Property Insights of ChemDiv1_022849
The XLogP value of 6.28641 indicates that ChemDiv1_022849 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_022849 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022849 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_022849?
The CAS number of ChemDiv1_022849 is 301655-72-1.
What is the molecular formula of ChemDiv1_022849?
The molecular formula of ChemDiv1_022849 is C18H21NOS3.
What is the molecular weight of ChemDiv1_022849?
The molecular weight of ChemDiv1_022849 is 363.08 g/mol.
Where can I buy ChemDiv1_022849?
You can request a quote for ChemDiv1_022849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022849?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.