1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate
TL;DR: 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate (CAS 7149-27-1) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-yl 2-(methylamino)benzoate
Also Known As: 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate, 3,7-dimethylocta-1,6-dien-3-yl 2-(methylamino)benzoate, 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-(methylamino)benzoate, 2-(Methylamino)benzoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester, EINECS 230-473-0
| Molecular Formula | C18H25NO2 |
|---|---|
| Molecular Weight | 287.19 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.18854 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7149-27-1 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1NC)C |
| InChIKey | YSISVWIJMAXDQL-UHFFFAOYSA-N |
Product Overview
1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate (CAS 7149-27-1), with molecular formula C18H25NO2 and molecular weight 287.19 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl 2-(methylamino)benzoate.
Chemical Property Profile of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate
Property Insights of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate
The XLogP value of 5.5 indicates that 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate?
The CAS number of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate is 7149-27-1.
What is the molecular formula of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate?
The molecular formula of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate is C18H25NO2.
What is the molecular weight of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate?
The molecular weight of 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate is 287.19 g/mol.
Where can I buy 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate?
You can request a quote for 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.