ChemDiv1_022677
TL;DR: ChemDiv1_022677 (CAS 306272-79-7) is a chemical compound with molecular formula C24H27NO5S3 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022677, DivK1c_003941, CDS1_002901, BAS 00584670, dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C24H27NO5S3 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | 5.16074 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 505.10513 |
| Heavy Atoms | 33 |
| Complexity | 1116.9989 |
Chemical Identifiers
| CAS Number | 306272-79-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(C)C |
Product Overview
ChemDiv1_022677 (CAS 306272-79-7), with molecular formula C24H27NO5S3 and molecular weight 505.11 g/mol. IUPAC: dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022677
Property Insights of ChemDiv1_022677
The XLogP value of 5.16074 indicates that ChemDiv1_022677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022677. Following Lipinski's Rule of Five, ChemDiv1_022677 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022677?
The CAS number of ChemDiv1_022677 is 306272-79-7.
What is the molecular formula of ChemDiv1_022677?
The molecular formula of ChemDiv1_022677 is C24H27NO5S3.
What is the molecular weight of ChemDiv1_022677?
The molecular weight of ChemDiv1_022677 is 505.11 g/mol.
Where can I buy ChemDiv1_022677?
You can request a quote for ChemDiv1_022677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022677?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.