Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
TL;DR: Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate (CAS 67801-47-2) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
Also Known As: methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate, Benzoic acid, 2-[(3,7-dimethyl-2,6-octadien-1-ylidene)amino]-, methyl ester, Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate, methyl 2-[(3,7-dimethylocta-2,6-dien-1-ylidene)amino]benzoate, methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzoate
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 67801-47-2 |
|---|---|
| SMILES | CC(=CCCC(=CC=NC1=CC=CC=C1C(=O)OC)C)C |
| InChIKey | JWXAUDGXBFALGZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate (CAS 67801-47-2), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate.
Chemical Property Profile of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
Property Insights of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
The XLogP value of 4.7 indicates that Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate?
The CAS number of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate is 67801-47-2.
What is the molecular formula of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate?
The molecular formula of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate is C18H23NO2.
What is the molecular weight of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate?
The molecular weight of Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate is 285.17 g/mol.
Where can I buy Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate?
You can request a quote for Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.