EINECS 269-322-9
TL;DR: EINECS 269-322-9 (CAS 68220-31-5) is a chemical compound with molecular formula C43H53ClN2O8S2 and molecular weight 824.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-5,6-dimethoxy-1,3-benzothiazole perchlorate
Also Known As: EINECS 269-322-9, Benzothiazolium, 3-ethyl-2-((3-(3-(3-((3-ethyl-5,6-dimethoxy-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-5,6-dimethoxy-, perchlorate, 3-Ethyl-2-[(E)-{3-[(1E,3E)-3-{3-[(Z)-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-1-en-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl]-5,6-dimethoxy-1,3-benzothiazol-3-ium perchlorate, Benzothiazolium, 3-ethyl-2-((3-(3-(3-((3-ethyl-5,6-dimethoxy-2(3H)-benzothiazolylidene)methyl)-5,5-demethyl-2-cyclohexen-1-ylidene)-1-propenyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-5,6-dimethoxy-, perchlorate, Benzothiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethyl-5,6-dimethoxy-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-5,6-dimethoxy-, perchlorate
| Molecular Formula | C43H53ClN2O8S2 |
|---|---|
| Molecular Weight | 824.29 g/mol |
| LogP | 6.3195 |
| Topological Polar Surface Area | 136.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 824.2932 |
| Heavy Atoms | 56 |
| Complexity | 2115.12 |
Chemical Identifiers
| CAS Number | 68220-31-5 |
|---|---|
| SMILES | CCN\1C2=CC(=C(C=C2S/C1=C\C3=C/C(=C/C=C/C4=C/C(=C/C5=[N+](C6=CC(=C(C=C6S5)OC)OC)CC)/CC(C4)(C)C)/CC(C3)(C)C)OC)OC.[O-]Cl(=O)(=O)=O |
Product Overview
EINECS 269-322-9 (CAS 68220-31-5), with molecular formula C43H53ClN2O8S2 and molecular weight 824.29 g/mol. IUPAC: (2Z)-3-ethyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-5,6-dimethoxy-1,3-benzothiazole perchlorate.
Chemical Property Profile of EINECS 269-322-9
Property Insights of EINECS 269-322-9
The XLogP value of 6.3195 indicates that EINECS 269-322-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.28 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 269-322-9. Following Lipinski's Rule of Five, EINECS 269-322-9 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-322-9?
The CAS number of EINECS 269-322-9 is 68220-31-5.
What is the molecular formula of EINECS 269-322-9?
The molecular formula of EINECS 269-322-9 is C43H53ClN2O8S2.
What is the molecular weight of EINECS 269-322-9?
The molecular weight of EINECS 269-322-9 is 824.29 g/mol.
Where can I buy EINECS 269-322-9?
You can request a quote for EINECS 269-322-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-322-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-322-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.