m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride (CAS 41637-89-2) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-methylbenzoate;hydrochloride
Also Known As: m-Toluic acid, hydrochloride, m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride, 2-(diethylamino)ethyl 3-methylbenzoate hydrochloride(1:1), Benzoic acid, 3-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, 2-(diethylamino)ethyl 3-methylbenzoate,hydrochloride
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 2.91542 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 41637-89-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC(=C1)C.Cl |
| InChIKey | RSJBBFCIDNPHOU-UHFFFAOYSA-N |
Product Overview
m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride (CAS 41637-89-2), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: 2-(diethylamino)ethyl 3-methylbenzoate;hydrochloride.
Chemical Property Profile of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of 2.91542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride has 1 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 m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride is 41637-89-2.
What is the molecular formula of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride is C14H22ClNO2.
What is the molecular weight of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride is 271.13 g/mol.
Where can I buy m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for m-Toluic acid, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.