2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
TL;DR: 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide (CAS 51479-78-8) 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.
2,2,2-trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
Also Known As: 2,2,2-trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide, 3,7-dimethyl-3-trichloroacetamido-1,6-octadiene, 3,7-Dimethyl-3-(trichloroacetylamino)-1,6-octadiene, N-(1-Vinyl-1,5-dimethyl-4-hexenyl)trichloroacetamide, 2,2,2-trichloro-N-(1,5-dimethyl-1-vinyl-4-hexenyl)acetamide
| Molecular Formula | C12H18Cl3NO |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0454 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 51479-78-8 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)NC(=O)C(Cl)(Cl)Cl)C |
| InChIKey | OMJPNRPQUNHMOS-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide (CAS 51479-78-8), with molecular formula C12H18Cl3NO and molecular weight 297.05 g/mol. IUPAC: 2,2,2-trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide.
Chemical Property Profile of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
Property Insights of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
The XLogP value of 4.6 indicates that 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide?
The CAS number of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide is 51479-78-8.
What is the molecular formula of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide?
The molecular formula of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide is C12H18Cl3NO.
What is the molecular weight of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide?
The molecular weight of 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide is 297.05 g/mol.
Where can I buy 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide?
You can request a quote for 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.