Methyl 3-(dimethylamino)benzoate
TL;DR: Methyl 3-(dimethylamino)benzoate (CAS 16518-64-2) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylamino)benzoate
Also Known As: methyl 3-(dimethylamino)benzoate, 3-(Dimethylamino)benzoic Acid Methyl Ester, Benzyl5-BromoamylEther, Methyl 3-Dimethylaminobenzoate, Methyl3-(Dimethylamino)benzoate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.5392 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 307.54797 |
Chemical Identifiers
| CAS Number | 16518-64-2 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-(dimethylamino)benzoate (CAS 16518-64-2), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 3-(dimethylamino)benzoate.
Chemical Property Profile of Methyl 3-(dimethylamino)benzoate
Property Insights of Methyl 3-(dimethylamino)benzoate
The XLogP value of 1.5392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(dimethylamino)benzoate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 3-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(dimethylamino)benzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-(dimethylamino)benzoate?
The CAS number of Methyl 3-(dimethylamino)benzoate is 16518-64-2.
What is the molecular formula of Methyl 3-(dimethylamino)benzoate?
The molecular formula of Methyl 3-(dimethylamino)benzoate is C10H13NO2.
What is the molecular weight of Methyl 3-(dimethylamino)benzoate?
The molecular weight of Methyl 3-(dimethylamino)benzoate is 179.09 g/mol.
Where can I buy Methyl 3-(dimethylamino)benzoate?
You can request a quote for Methyl 3-(dimethylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.