Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate
TL;DR: Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate (CAS 67923-84-6) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(8-amino-7-methyloct-1-enyl)benzoate
Also Known As: Methylanthranilate isononylaldehyde, Methyl 2-(isononylideneamino)benzoate, Benzoic acid, 2-(isononylideneamino)-, methyl ester
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 67923-84-6 |
|---|---|
| SMILES | CC(CCCCC=CC1=CC=CC=C1C(=O)OC)CN |
| InChIKey | LVANARGDNNHGNV-UHFFFAOYSA-N |
Product Overview
Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate (CAS 67923-84-6), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: methyl 2-(8-amino-7-methyloct-1-enyl)benzoate.
Chemical Property Profile of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate
Property Insights of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate
The XLogP value of 4.0 indicates that Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate has 1 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-(8-amino-7-methyloct-1-enyl)benzoate?
The CAS number of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate is 67923-84-6.
What is the molecular formula of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate?
The molecular formula of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate is C17H25NO2.
What is the molecular weight of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate?
The molecular weight of Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate is 275.19 g/mol.
Where can I buy Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate?
You can request a quote for Methyl 2-(8-amino-7-methyloct-1-enyl)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-(8-amino-7-methyloct-1-enyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(8-amino-7-methyloct-1-enyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.