methyl 3-(diethylaminomethyl)benzoate
TL;DR: methyl 3-(diethylaminomethyl)benzoate (CAS 4958-78-5) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(diethylaminomethyl)benzoate
Also Known As: methyl 3-(diethylaminomethyl)benzoate, Methyl 3-[(diethylamino)methyl]benzoate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 4958-78-5 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=CC=C1)C(=O)OC |
| InChIKey | SBJZGERXYGXOPQ-UHFFFAOYSA-N |
Product Overview
methyl 3-(diethylaminomethyl)benzoate (CAS 4958-78-5), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: methyl 3-(diethylaminomethyl)benzoate.
Chemical Property Profile of methyl 3-(diethylaminomethyl)benzoate
Property Insights of methyl 3-(diethylaminomethyl)benzoate
The XLogP value of 3.0 indicates that methyl 3-(diethylaminomethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 3-(diethylaminomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(diethylaminomethyl)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-(diethylaminomethyl)benzoate?
The CAS number of methyl 3-(diethylaminomethyl)benzoate is 4958-78-5.
What is the molecular formula of methyl 3-(diethylaminomethyl)benzoate?
The molecular formula of methyl 3-(diethylaminomethyl)benzoate is C13H19NO2.
What is the molecular weight of methyl 3-(diethylaminomethyl)benzoate?
The molecular weight of methyl 3-(diethylaminomethyl)benzoate is 221.14 g/mol.
Where can I buy methyl 3-(diethylaminomethyl)benzoate?
You can request a quote for methyl 3-(diethylaminomethyl)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-(diethylaminomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(diethylaminomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.