Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester
TL;DR: Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester (CAS 42908-15-6) is a chemical compound with molecular formula C16H26N2O2 and molecular weight 278.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3,5-diamino-4-methylbenzoate
Also Known As: 2-Ethylhexyl 3,5-diamino-4-methylbenzoate, Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester, 2-ethylhexyl3,5-diamino-4-methylbenzoate, 4-Methyl-3,5-diaminobenzoic acid, 2-ethylhexyl ester, 3,5-Diamino-4-methylbenzoic acid 2-ethylhexyl ester
| Molecular Formula | C16H26N2O2 |
|---|---|
| Molecular Weight | 278.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.19943 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 42908-15-6 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C(=C1)N)C)N |
| InChIKey | IUSWWMQKWNMRSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester (CAS 42908-15-6), with molecular formula C16H26N2O2 and molecular weight 278.20 g/mol. IUPAC: 2-ethylhexyl 3,5-diamino-4-methylbenzoate.
Chemical Property Profile of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester
Property Insights of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl 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, 3,5-diamino-4-methyl-, 2-ethylhexyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl 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, 3,5-diamino-4-methyl-, 2-ethylhexyl ester?
The CAS number of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester is 42908-15-6.
What is the molecular formula of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester?
The molecular formula of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester is C16H26N2O2.
What is the molecular weight of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester?
The molecular weight of Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester is 278.20 g/mol.
Where can I buy Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester?
You can request a quote for Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl 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, 3,5-diamino-4-methyl-, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.