CDS1_003070
TL;DR: CDS1_003070 (CAS 331640-13-2) is a chemical compound with molecular formula C25H25NO3S3 and molecular weight 483.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(7-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: CDS1_003070, BAS 00757468, ethyl (2Z)-2-(7-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C25H25NO3S3 |
|---|---|
| Molecular Weight | 483.10 g/mol |
| LogP | 6.7398 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.09967 |
| Heavy Atoms | 32 |
| Complexity | 1136.3761 |
Chemical Identifiers
| CAS Number | 331640-13-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)/C(=C/3\SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)/C(=S)C(N2)(C)C |
Product Overview
CDS1_003070 (CAS 331640-13-2), with molecular formula C25H25NO3S3 and molecular weight 483.10 g/mol. IUPAC: ethyl (2Z)-2-(7-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of CDS1_003070
Property Insights of CDS1_003070
The XLogP value of 6.7398 indicates that CDS1_003070 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, CDS1_003070 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_003070 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_003070?
The CAS number of CDS1_003070 is 331640-13-2.
What is the molecular formula of CDS1_003070?
The molecular formula of CDS1_003070 is C25H25NO3S3.
What is the molecular weight of CDS1_003070?
The molecular weight of CDS1_003070 is 483.10 g/mol.
Where can I buy CDS1_003070?
You can request a quote for CDS1_003070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003070?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.