Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester (CAS 67893-08-7) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
Also Known As: ethyl4-[ amino]benzoate, Ethyl 4-((7-hydroxy-3,7-dimethyloctylidene)amino)benzoate, ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate, 3,7-Dimethyl-7-hydroxy-N-octylidene-p-aminobenzoic acid, ethyl ester, Benzoic acid, 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]-, ethyl ester
| Molecular Formula | C19H29NO3 |
|---|---|
| Molecular Weight | 319.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 319.21475 |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 67893-08-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CCC(C)CCCC(C)(C)O |
| InChIKey | XVBLHUKRTCOMPF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester (CAS 67893-08-7), with molecular formula C19H29NO3 and molecular weight 319.21 g/mol. IUPAC: ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester
The XLogP value of 3.7 indicates that Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)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, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)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, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester is 67893-08-7.
What is the molecular formula of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester is C19H29NO3.
What is the molecular weight of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester is 319.21 g/mol.
Where can I buy Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)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, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((7-hydroxy-3,7-dimethyloctylidene)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.