o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride
TL;DR: o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 23959-27-5) is a chemical compound with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2,3-dimethoxybenzoate;hydrochloride
Also Known As: 3-chloroaniline,trifluoroborane, 3-chloroaniline-trifluoroborane(1:1), o-Veratric acid hydrochloride, 2-(dimethylamino)ethyl ester, o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride, 2-dimethylaminoethyl 2,3-dimethoxybenzoate hydrochloride
| Molecular Formula | C13H20ClNO4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.1081 |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 23959-27-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=C(C(=CC=C1)OC)OC.Cl |
| InChIKey | OVRNILYWDQLUFB-UHFFFAOYSA-N |
Product Overview
o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 23959-27-5), with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 2,3-dimethoxybenzoate;hydrochloride.
Chemical Property Profile of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride
Property Insights of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 48.0 Ų, o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 5 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 o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The CAS number of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride is 23959-27-5.
What is the molecular formula of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular formula of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride is C13H20ClNO4.
What is the molecular weight of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular weight of o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride is 289.11 g/mol.
Where can I buy o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride?
You can request a quote for o-Veratric acid, 2-(dimethylamino)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 o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.