Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester
TL;DR: Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester (CAS 161300-08-9) is a chemical compound with molecular formula C12H18Cl3NO and molecular weight 297.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl 2,2,2-trichloroethanimidate
Also Known As: Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester, 3,7-dimethylocta-2,6-dienyl 2,2,2-trichloroethanimidate, 3,7-Dimethylocta-2,6-dien-1-yl 2,2,2-trichloroethanimidate
| Molecular Formula | C12H18Cl3NO |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.0454 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 161300-08-9 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=N)C(Cl)(Cl)Cl)C)C |
| InChIKey | RILLNXNDXDGILZ-UHFFFAOYSA-N |
Product Overview
Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester (CAS 161300-08-9), with molecular formula C12H18Cl3NO and molecular weight 297.05 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 2,2,2-trichloroethanimidate.
Chemical Property Profile of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester
Property Insights of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester
The XLogP value of 5.4 indicates that Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester?
The CAS number of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester is 161300-08-9.
What is the molecular formula of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester?
The molecular formula of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester is C12H18Cl3NO.
What is the molecular weight of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester?
The molecular weight of Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester is 297.05 g/mol.
Where can I buy Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester?
You can request a quote for Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidic acid, 2,2,2-trichloro-, 3,7-dimethyl-2,6-octadienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.