ChemDiv1_022350
TL;DR: ChemDiv1_022350 (CAS 307329-40-4) is a chemical compound with molecular formula C30H35NO9S3 and molecular weight 649.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetraethyl 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_022350, BAS 00225093, tetraethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, tetraethyl 9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, 2',3',4,5-TETRAETHYL 9'-ETHOXY-5',5'-DIMETHYL-5',6'-DIHYDROSPIRO[1,3-DITHIOLE-2,1'-THIOPYRANO[2,3-C]QUINOLINE]-2',3',4,5-TETRACARBOXYLATE
| Molecular Formula | C30H35NO9S3 |
|---|---|
| Molecular Weight | 649.15 g/mol |
| LogP | 5.6417 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 649.1474 |
| Heavy Atoms | 43 |
| Complexity | 1413.9214 |
Chemical Identifiers
| CAS Number | 307329-40-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C4(C(=C(S3)C(=O)OCC)C(=O)OCC)SC(=C(S4)C(=O)OCC)C(=O)OCC)(C)C |
Product Overview
ChemDiv1_022350 (CAS 307329-40-4), with molecular formula C30H35NO9S3 and molecular weight 649.15 g/mol. IUPAC: tetraethyl 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_022350
Property Insights of ChemDiv1_022350
The XLogP value of 5.6417 indicates that ChemDiv1_022350 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_022350. Following Lipinski's Rule of Five, ChemDiv1_022350 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_022350?
The CAS number of ChemDiv1_022350 is 307329-40-4.
What is the molecular formula of ChemDiv1_022350?
The molecular formula of ChemDiv1_022350 is C30H35NO9S3.
What is the molecular weight of ChemDiv1_022350?
The molecular weight of ChemDiv1_022350 is 649.15 g/mol.
Where can I buy ChemDiv1_022350?
You can request a quote for ChemDiv1_022350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022350?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.