ChemDiv1_022619
TL;DR: ChemDiv1_022619 (CAS 328069-39-2) is a chemical compound with molecular formula C28H29NO9S3 and molecular weight 619.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: ChemDiv1_022619, DivK1c_003883, CDS1_002843, BAS 00416449, tetramethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C28H29NO9S3 |
|---|---|
| Molecular Weight | 619.10 g/mol |
| LogP | 4.32212 |
| Topological Polar Surface Area | 125.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 619.10046 |
| Heavy Atoms | 41 |
| Complexity | 1460.1372 |
Chemical Identifiers
| CAS Number | 328069-39-2 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv1_022619 (CAS 328069-39-2), with molecular formula C28H29NO9S3 and molecular weight 619.10 g/mol. IUPAC: tetramethyl 5',5',9'-trimethyl-6'-propanoylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
Chemical Property Profile of ChemDiv1_022619
Property Insights of ChemDiv1_022619
The XLogP value of 4.32212 indicates that ChemDiv1_022619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022619. Following Lipinski's Rule of Five, ChemDiv1_022619 has 0 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_022619?
The CAS number of ChemDiv1_022619 is 328069-39-2.
What is the molecular formula of ChemDiv1_022619?
The molecular formula of ChemDiv1_022619 is C28H29NO9S3.
What is the molecular weight of ChemDiv1_022619?
The molecular weight of ChemDiv1_022619 is 619.10 g/mol.
Where can I buy ChemDiv1_022619?
You can request a quote for ChemDiv1_022619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022619?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.