ChemDiv1_022722
TL;DR: ChemDiv1_022722 (CAS 352640-84-7) is a chemical compound with molecular formula C29H22N2O3S3 and molecular weight 542.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
Also Known As: ChemDiv1_022722, DivK1c_003986, CDS1_002946, 2-[1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione, 2-[1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C29H22N2O3S3 |
|---|---|
| Molecular Weight | 542.08 g/mol |
| LogP | 6.69529 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.0793 |
| Heavy Atoms | 37 |
| Complexity | 1602.3573 |
Chemical Identifiers
| CAS Number | 352640-84-7 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)C(=S)SS2)C |
Product Overview
ChemDiv1_022722 (CAS 352640-84-7), with molecular formula C29H22N2O3S3 and molecular weight 542.08 g/mol. IUPAC: 2-[1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_022722
Property Insights of ChemDiv1_022722
The XLogP value of 6.69529 indicates that ChemDiv1_022722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv1_022722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022722 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_022722?
The CAS number of ChemDiv1_022722 is 352640-84-7.
What is the molecular formula of ChemDiv1_022722?
The molecular formula of ChemDiv1_022722 is C29H22N2O3S3.
What is the molecular weight of ChemDiv1_022722?
The molecular weight of ChemDiv1_022722 is 542.08 g/mol.
Where can I buy ChemDiv1_022722?
You can request a quote for ChemDiv1_022722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022722?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.