![Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester structure](/static/products/6603/66037-56-7.webp)
Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester
TL;DR: Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester (CAS 66037-56-7) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-5-[(4-aminophenyl)methyl]benzoate
Also Known As: butyl 2-amino-5-(4-aminobenzyl)benzoate, (C2-H7-N-O.H3-O4-P)x-, Phosphoric acid, 2-aminoethanol polymer, butyl 2-amino-5-[(4-aminophenyl)methyl]benzoate, Benzoic acid, 2-amino-5-((4-aminophenyl)methyl)-, butyl ester
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 66037-56-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N |
| InChIKey | BBZZGMZYNGWQBB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester (CAS 66037-56-7), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: butyl 2-amino-5-[(4-aminophenyl)methyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester
Property Insights of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester
The XLogP value of 4.1 indicates that Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester has 2 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-amino-5-[(4-aminophenyl)methyl]-, butyl ester?
The CAS number of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester is 66037-56-7.
What is the molecular formula of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester?
The molecular formula of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester is C18H22N2O2.
What is the molecular weight of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester?
The molecular weight of Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester is 298.17 g/mol.
Where can I buy Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester?
You can request a quote for Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl 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-amino-5-[(4-aminophenyl)methyl]-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.