ChemDiv1_027865
TL;DR: ChemDiv1_027865 (CAS 309293-50-3) is a chemical compound with molecular formula C25H29NO6S3 and molecular weight 535.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_027865, BAS 01094969, dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, A2181/0091644, 4,5-DIMETHYL 2-(6-ETHOXY-2,2-DIMETHYL-1-PENTANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C25H29NO6S3 |
|---|---|
| Molecular Weight | 535.12 g/mol |
| LogP | 5.4768 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1157 |
| Heavy Atoms | 35 |
| Complexity | 1108.0114 |
Chemical Identifiers
| CAS Number | 309293-50-3 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
ChemDiv1_027865 (CAS 309293-50-3), with molecular formula C25H29NO6S3 and molecular weight 535.12 g/mol. IUPAC: dimethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_027865
Property Insights of ChemDiv1_027865
The XLogP value of 5.4768 indicates that ChemDiv1_027865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027865. Following Lipinski's Rule of Five, ChemDiv1_027865 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027865?
The CAS number of ChemDiv1_027865 is 309293-50-3.
What is the molecular formula of ChemDiv1_027865?
The molecular formula of ChemDiv1_027865 is C25H29NO6S3.
What is the molecular weight of ChemDiv1_027865?
The molecular weight of ChemDiv1_027865 is 535.12 g/mol.
Where can I buy ChemDiv1_027865?
You can request a quote for ChemDiv1_027865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027865?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.