ChemDiv1_027616
TL;DR: ChemDiv1_027616 (CAS 331640-26-7) is a chemical compound with molecular formula C26H31NO6S3 and molecular weight 549.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_027616, BAS 00757509, diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, A2053/0086336
| Molecular Formula | C26H31NO6S3 |
|---|---|
| Molecular Weight | 549.13 g/mol |
| LogP | 5.8669 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.13135 |
| Heavy Atoms | 36 |
| Complexity | 1122.3336 |
Chemical Identifiers
| CAS Number | 331640-26-7 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C |
Product Overview
ChemDiv1_027616 (CAS 331640-26-7), with molecular formula C26H31NO6S3 and molecular weight 549.13 g/mol. IUPAC: diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_027616
Property Insights of ChemDiv1_027616
The XLogP value of 5.8669 indicates that ChemDiv1_027616 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_027616. Following Lipinski's Rule of Five, ChemDiv1_027616 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_027616?
The CAS number of ChemDiv1_027616 is 331640-26-7.
What is the molecular formula of ChemDiv1_027616?
The molecular formula of ChemDiv1_027616 is C26H31NO6S3.
What is the molecular weight of ChemDiv1_027616?
The molecular weight of ChemDiv1_027616 is 549.13 g/mol.
Where can I buy ChemDiv1_027616?
You can request a quote for ChemDiv1_027616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027616?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.