Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester
TL;DR: Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester (CAS 6279-52-3) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate
Also Known As: Benzoic acid, methyl ester, Methyl 3-((dimethylamino)methyl)-4-hydroxybenzoate, methyl 3-(dimethylaminomethyl)-4-hydroxybenzoate, 0-14-00-00602 (Beilstein Handbook Reference), 3-((Dimethylamino)methyl)-4-hydroxybenzoic acid methyl ester
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 6279-52-3 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC(=C1)C(=O)OC)O |
| InChIKey | NVJULERDNIHRBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester (CAS 6279-52-3), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester
Property Insights of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl 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-((dimethylamino)methyl)-4-hydroxy, methyl ester?
The CAS number of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester is 6279-52-3.
What is the molecular formula of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester?
The molecular formula of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester is C11H15NO3.
What is the molecular weight of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester?
The molecular weight of Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester is 209.11 g/mol.
Where can I buy Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester?
You can request a quote for Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl 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-((dimethylamino)methyl)-4-hydroxy, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((dimethylamino)methyl)-4-hydroxy, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.