ChemDiv1_021408
TL;DR: ChemDiv1_021408 (CAS 314039-79-7) is a chemical compound with molecular formula C27H25NO6S3 and molecular weight 555.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[8-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_021408, BIM-0035756.P001, AJ-292/13093031, dimethyl 2-[8-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[8-METHOXY-2,2-DIMETHYL-1-(2-PHENYLACETYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C27H25NO6S3 |
|---|---|
| Molecular Weight | 555.08 g/mol |
| LogP | 5.1392 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 555.0844 |
| Heavy Atoms | 37 |
| Complexity | 1333.4513 |
Chemical Identifiers
| CAS Number | 314039-79-7 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CC4=CC=CC=C4)C(=CC=C3)OC)C |
Product Overview
ChemDiv1_021408 (CAS 314039-79-7), with molecular formula C27H25NO6S3 and molecular weight 555.08 g/mol. IUPAC: dimethyl 2-[8-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_021408
Property Insights of ChemDiv1_021408
The XLogP value of 5.1392 indicates that ChemDiv1_021408 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_021408. Following Lipinski's Rule of Five, ChemDiv1_021408 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_021408?
The CAS number of ChemDiv1_021408 is 314039-79-7.
What is the molecular formula of ChemDiv1_021408?
The molecular formula of ChemDiv1_021408 is C27H25NO6S3.
What is the molecular weight of ChemDiv1_021408?
The molecular weight of ChemDiv1_021408 is 555.08 g/mol.
Where can I buy ChemDiv1_021408?
You can request a quote for ChemDiv1_021408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021408?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.