ChemDiv1_022855
TL;DR: ChemDiv1_022855 (CAS 331840-78-9) is a chemical compound with molecular formula C23H18N2O4S3 and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]isoindole-1,3-dione
Also Known As: ChemDiv1_022855, DivK1c_004119, CDS1_003079, BAS 00619858, BIM-0026726.P001
| Molecular Formula | C23H18N2O4S3 |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 5.09259 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.04288 |
| Heavy Atoms | 32 |
| Complexity | 1336.5563 |
Chemical Identifiers
| CAS Number | 331840-78-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4C(=O)C5=CC=CC=C5C4=O)C=C(C=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_022855 (CAS 331840-78-9), with molecular formula C23H18N2O4S3 and molecular weight 482.04 g/mol. IUPAC: 2-[2-(7-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_022855
Property Insights of ChemDiv1_022855
The XLogP value of 5.09259 indicates that ChemDiv1_022855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022855. Following Lipinski's Rule of Five, ChemDiv1_022855 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022855?
The CAS number of ChemDiv1_022855 is 331840-78-9.
What is the molecular formula of ChemDiv1_022855?
The molecular formula of ChemDiv1_022855 is C23H18N2O4S3.
What is the molecular weight of ChemDiv1_022855?
The molecular weight of ChemDiv1_022855 is 482.04 g/mol.
Where can I buy ChemDiv1_022855?
You can request a quote for ChemDiv1_022855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022855?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.