EINECS 253-188-3
TL;DR: EINECS 253-188-3 (CAS 36755-19-8) is a chemical compound with molecular formula C27H36ClN3O6S and molecular weight 565.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]piperazine-1-carboxylate perchlorate
Also Known As: EINECS 253-188-3, Benzothiazolium, 2-[3-[3-[4-(ethoxycarbonyl)-1-piperazinyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-3-ethyl-, perchlorate, 4H-1-Benzopyran-4-one,3-(2-benzofuranyl)-7-methoxy-2-methyl, Benzothiazolium, 2-(3-(3-(4-(ethoxycarbonyl)-1-piperazinyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propen-1-yl)-3-ethyl-, perchlorate (1:1), Benzothiazolium, 2-(3-(3-(4-(ethoxycarbonyl)-1-piperazinyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl)-3-ethyl-, perchlorate
| Molecular Formula | C27H36ClN3O6S |
|---|---|
| Molecular Weight | 565.20 g/mol |
| LogP | 0.8703 |
| Topological Polar Surface Area | 128.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.20135 |
| Heavy Atoms | 38 |
| Complexity | 1187.1246 |
Chemical Identifiers
| CAS Number | 36755-19-8 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/3\CC(CC(=C3)N4CCN(CC4)C(=O)OCC)(C)C.[O-]Cl(=O)(=O)=O |
Product Overview
EINECS 253-188-3 (CAS 36755-19-8), with molecular formula C27H36ClN3O6S and molecular weight 565.20 g/mol. IUPAC: ethyl 4-[(3E)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]piperazine-1-carboxylate perchlorate.
Chemical Property Profile of EINECS 253-188-3
Property Insights of EINECS 253-188-3
The XLogP value of 0.8703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 253-188-3. The TPSA of 128.9 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 253-188-3. Following Lipinski's Rule of Five, EINECS 253-188-3 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 253-188-3?
The CAS number of EINECS 253-188-3 is 36755-19-8.
What is the molecular formula of EINECS 253-188-3?
The molecular formula of EINECS 253-188-3 is C27H36ClN3O6S.
What is the molecular weight of EINECS 253-188-3?
The molecular weight of EINECS 253-188-3 is 565.20 g/mol.
Where can I buy EINECS 253-188-3?
You can request a quote for EINECS 253-188-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 253-188-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 253-188-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.