ChemDiv1_022753
TL;DR: ChemDiv1_022753 (CAS 5549-97-3) is a chemical compound with molecular formula C28H29NO10S3 and molecular weight 635.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: ChemDiv1_022753, DivK1c_004017, CDS1_002977, BAS 00501775, tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C28H29NO10S3 |
|---|---|
| Molecular Weight | 635.10 g/mol |
| LogP | 4.0223 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.09534 |
| Heavy Atoms | 42 |
| Complexity | 1478.7457 |
Chemical Identifiers
| CAS Number | 5549-97-3 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C |
Product Overview
ChemDiv1_022753 (CAS 5549-97-3), with molecular formula C28H29NO10S3 and molecular weight 635.10 g/mol. IUPAC: tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of ChemDiv1_022753
Property Insights of ChemDiv1_022753
The XLogP value of 4.0223 indicates that ChemDiv1_022753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022753. Following Lipinski's Rule of Five, ChemDiv1_022753 has 0 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_022753?
The CAS number of ChemDiv1_022753 is 5549-97-3.
What is the molecular formula of ChemDiv1_022753?
The molecular formula of ChemDiv1_022753 is C28H29NO10S3.
What is the molecular weight of ChemDiv1_022753?
The molecular weight of ChemDiv1_022753 is 635.10 g/mol.
Where can I buy ChemDiv1_022753?
You can request a quote for ChemDiv1_022753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022753?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.