ChemDiv1_005405
TL;DR: ChemDiv1_005405 (CAS 332043-93-3) is a chemical compound with molecular formula C23H24N2O4S3 and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: ChemDiv1_005405, BAS 00861859, 2-[2-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione, 2-(2-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-oxoethyl)hexahydro-1H-isoindole-1,3(2H)-dione, 2-(2-{8-METHOXY-4,4-DIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}-2-OXOETHYL)-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE
| Molecular Formula | C23H24N2O4S3 |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 4.97159 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.0898 |
| Heavy Atoms | 32 |
| Complexity | 1174.0886 |
Chemical Identifiers
| CAS Number | 332043-93-3 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4C(=O)C5CCCCC5C4=O)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_005405 (CAS 332043-93-3), with molecular formula C23H24N2O4S3 and molecular weight 488.09 g/mol. IUPAC: 2-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of ChemDiv1_005405
Property Insights of ChemDiv1_005405
The XLogP value of 4.97159 indicates that ChemDiv1_005405 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_005405. Following Lipinski's Rule of Five, ChemDiv1_005405 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005405?
The CAS number of ChemDiv1_005405 is 332043-93-3.
What is the molecular formula of ChemDiv1_005405?
The molecular formula of ChemDiv1_005405 is C23H24N2O4S3.
What is the molecular weight of ChemDiv1_005405?
The molecular weight of ChemDiv1_005405 is 488.09 g/mol.
Where can I buy ChemDiv1_005405?
You can request a quote for ChemDiv1_005405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005405?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.