ChemDiv1_022480
TL;DR: ChemDiv1_022480 (CAS 296272-68-9) is a chemical compound with molecular formula C29H33NO8S3 and molecular weight 619.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetraethyl 5',5',8'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: ChemDiv1_022480, BAS 00225081, tetraethyl 5',5',8'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, 2',3',4,5-Tetraethyl 5',6'-dihydro-5',5',8'-trimethylspiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetraethyl 5',5',8'-trimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C29H33NO8S3 |
|---|---|
| Molecular Weight | 619.14 g/mol |
| LogP | 5.55142 |
| Topological Polar Surface Area | 117.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.13684 |
| Heavy Atoms | 41 |
| Complexity | 1378.3832 |
Chemical Identifiers
| CAS Number | 296272-68-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=C(C=C4)C)NC2(C)C)C(=O)OCC |
Product Overview
ChemDiv1_022480 (CAS 296272-68-9), with molecular formula C29H33NO8S3 and molecular weight 619.14 g/mol. IUPAC: tetraethyl 5',5',8'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of ChemDiv1_022480
Property Insights of ChemDiv1_022480
The XLogP value of 5.55142 indicates that ChemDiv1_022480 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022480. Following Lipinski's Rule of Five, ChemDiv1_022480 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022480?
The CAS number of ChemDiv1_022480 is 296272-68-9.
What is the molecular formula of ChemDiv1_022480?
The molecular formula of ChemDiv1_022480 is C29H33NO8S3.
What is the molecular weight of ChemDiv1_022480?
The molecular weight of ChemDiv1_022480 is 619.14 g/mol.
Where can I buy ChemDiv1_022480?
You can request a quote for ChemDiv1_022480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022480?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.