![Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester structure](/static/products/6780/67801-26-7.webp)
Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester
TL;DR: Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester (CAS 67801-26-7) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(7-hydroxy-7-methyloctylidene)amino]benzoate
Also Known As: Benzoic acid, 2-((7-hydroxy-7-methyloctylidene)amino)-, ethyl ester, ethyl 2-[(7-hydroxy-7-methyloctylidene)amino]benzoate, Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester, 2-[(7-Hydroxy-7-methyloctylidene)amino]benzoic acid ethyl ester, RefChem:565473
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 67801-26-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N=CCCCCCC(C)(C)O |
| InChIKey | DUPWFAFOSNXTID-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester (CAS 67801-26-7), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: ethyl 2-[(7-hydroxy-7-methyloctylidene)amino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester
Property Insights of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester
The XLogP value of 3.3 indicates that Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester?
The CAS number of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester is 67801-26-7.
What is the molecular formula of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester?
The molecular formula of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester is C18H27NO3.
What is the molecular weight of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester?
The molecular weight of Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester is 305.20 g/mol.
Where can I buy Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester?
You can request a quote for Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(7-hydroxy-7-methyloctylidene)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.