ChemDiv1_022801
TL;DR: ChemDiv1_022801 (CAS 301655-50-5) is a chemical compound with molecular formula C26H27NO9S3 and molecular weight 593.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: ChemDiv1_022801, DivK1c_004065, tetramethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, CDS1_003025, BAS 00126816
| Molecular Formula | C26H27NO9S3 |
|---|---|
| Molecular Weight | 593.08 g/mol |
| LogP | 4.0813 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 593.0848 |
| Heavy Atoms | 39 |
| Complexity | 1348.381 |
Chemical Identifiers
| CAS Number | 301655-50-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C |
Product Overview
ChemDiv1_022801 (CAS 301655-50-5), with molecular formula C26H27NO9S3 and molecular weight 593.08 g/mol. IUPAC: tetramethyl 9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of ChemDiv1_022801
Property Insights of ChemDiv1_022801
The XLogP value of 4.0813 indicates that ChemDiv1_022801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022801. Following Lipinski's Rule of Five, ChemDiv1_022801 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022801?
The CAS number of ChemDiv1_022801 is 301655-50-5.
What is the molecular formula of ChemDiv1_022801?
The molecular formula of ChemDiv1_022801 is C26H27NO9S3.
What is the molecular weight of ChemDiv1_022801?
The molecular weight of ChemDiv1_022801 is 593.08 g/mol.
Where can I buy ChemDiv1_022801?
You can request a quote for ChemDiv1_022801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022801?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.