Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester (CAS 27951-79-7) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-amino-2-methylbenzoate
Also Known As: 2-Diethylaminoethyl 4-amino-2-methylbenzoate, 4-Amino-o-toluic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 4-amino-2-methylbenzoate, o-Toluic acid, 4-amino-, 2-(diethylamino)ethyl ester, Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester
| Molecular Formula | C14H22N2O2 |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.16812 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 27951-79-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)C |
| InChIKey | YZMWTZZVNXBDQF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester (CAS 27951-79-7), with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol. IUPAC: 2-(diethylamino)ethyl 4-amino-2-methylbenzoate.
Chemical Property Profile of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester. With a topological polar surface area (TPSA) of 55.6 Ų, Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)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-amino-2-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester is 27951-79-7.
What is the molecular formula of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester is C14H22N2O2.
What is the molecular weight of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester is 250.17 g/mol.
Where can I buy Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)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-amino-2-methyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.