Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester (CAS 78329-97-2) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(diethylaminomethyl)-4-hydroxybenzoate
Also Known As: Ethyl 3-((diethylamino)methyl)-4-hydroxybenzoate, BENZOIC ACID, 3-(DIETHYLAMINO)METHYL-4-HYDROXY-, ETHYL ESTER, ethyl 3-(diethylaminomethyl)-4-hydroxybenzoate, 3-((Diethylamino)methyl)-4-hydroxybenzoic acid ethyl ester, ethyl 3-[(diethylamino)methyl]-4-hydroxybenzoate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 78329-97-2 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC(=C1)C(=O)OCC)O |
| InChIKey | RCFIXNWIGMZKKS-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester (CAS 78329-97-2), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: ethyl 3-(diethylaminomethyl)-4-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, 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, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester is 78329-97-2.
What is the molecular formula of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester is C14H21NO3.
What is the molecular weight of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester is 251.15 g/mol.
Where can I buy Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, 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, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(diethylamino)methyl-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.