ChemDiv1_022671
TL;DR: ChemDiv1_022671 (CAS 301655-58-3) is a chemical compound with molecular formula C19H14N2O3S3 and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_022671, DivK1c_003935, CDS1_002895, BAS 00126835, (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone
| Molecular Formula | C19H14N2O3S3 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 6.00979 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.01666 |
| Heavy Atoms | 27 |
| Complexity | 1146.8517 |
Chemical Identifiers
| CAS Number | 301655-58-3 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=S)SS2)C |
Product Overview
ChemDiv1_022671 (CAS 301655-58-3), with molecular formula C19H14N2O3S3 and molecular weight 414.02 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_022671
Property Insights of ChemDiv1_022671
The XLogP value of 6.00979 indicates that ChemDiv1_022671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022671. Following Lipinski's Rule of Five, ChemDiv1_022671 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022671?
The CAS number of ChemDiv1_022671 is 301655-58-3.
What is the molecular formula of ChemDiv1_022671?
The molecular formula of ChemDiv1_022671 is C19H14N2O3S3.
What is the molecular weight of ChemDiv1_022671?
The molecular weight of ChemDiv1_022671 is 414.02 g/mol.
Where can I buy ChemDiv1_022671?
You can request a quote for ChemDiv1_022671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022671?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.