ChemDiv1_023882
TL;DR: ChemDiv1_023882 (CAS 336175-84-9) 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.
1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one
Also Known As: ChemDiv1_023882, BAS 01094995, 1-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one, 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one, 1-(4,4,6,8-tetramethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)butan-1-one
| Molecular Formula | C18H21NOS3 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.20473 |
| 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 | 844.43695 |
Chemical Identifiers
| CAS Number | 336175-84-9 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2C3=C(C1(C)C)SSC3=S)C)C |
Product Overview
ChemDiv1_023882 (CAS 336175-84-9), with molecular formula C18H21NOS3 and molecular weight 363.08 g/mol. IUPAC: 1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)butan-1-one.
Chemical Property Profile of ChemDiv1_023882
Property Insights of ChemDiv1_023882
The XLogP value of 6.20473 indicates that ChemDiv1_023882 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_023882 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023882 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_023882?
The CAS number of ChemDiv1_023882 is 336175-84-9.
What is the molecular formula of ChemDiv1_023882?
The molecular formula of ChemDiv1_023882 is C18H21NOS3.
What is the molecular weight of ChemDiv1_023882?
The molecular weight of ChemDiv1_023882 is 363.08 g/mol.
Where can I buy ChemDiv1_023882?
You can request a quote for ChemDiv1_023882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023882?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.