EINECS 239-736-4
TL;DR: EINECS 239-736-4 (CAS 15664-19-4) is a chemical compound with molecular formula C31H33N3OS2 and molecular weight 527.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one, Benzenamine,2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl), 4-Imidazolidinone,5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-, 5-((1-Ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)ethylidene)-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one, 5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one
| Molecular Formula | C31H33N3OS2 |
|---|---|
| Molecular Weight | 527.21 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.2065 |
| Heavy Atoms | 37 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 15664-19-4 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(=CC=C2N(C3=C(S2)C=CC4=CC=CC=C43)CC)N(C1=S)C5=CC=CC=C5 |
| InChIKey | GYTYGDPOBZAIAI-UHFFFAOYSA-N |
Product Overview
EINECS 239-736-4 (CAS 15664-19-4), with molecular formula C31H33N3OS2 and molecular weight 527.21 g/mol. IUPAC: 5-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of EINECS 239-736-4
Property Insights of EINECS 239-736-4
The XLogP value of 8.9 indicates that EINECS 239-736-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 239-736-4. Following Lipinski's Rule of Five, EINECS 239-736-4 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 239-736-4?
The CAS number of EINECS 239-736-4 is 15664-19-4.
What is the molecular formula of EINECS 239-736-4?
The molecular formula of EINECS 239-736-4 is C31H33N3OS2.
What is the molecular weight of EINECS 239-736-4?
The molecular weight of EINECS 239-736-4 is 527.21 g/mol.
Where can I buy EINECS 239-736-4?
You can request a quote for EINECS 239-736-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 239-736-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 239-736-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.