Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
TL;DR: Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester (CAS 5014-25-5) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(diethylamino)ethoxy]benzoate
Also Known As: Sch 1316, methyl 2-[2-(diethylamino)ethoxy]benzoate, BENZOIC ACID, o-(2-(DIETHYLAMINO)ETHOXY)-, METHYL ESTER, methyl 2-(2-diethylaminoethyloxy)benzoate, o-(2-(Diethylamino)ethoxy)benzoic acid methyl ester
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5014-25-5 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=CC=C1C(=O)OC |
| InChIKey | MDJGIUGPZDSKSV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester (CAS 5014-25-5), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: methyl 2-[2-(diethylamino)ethoxy]benzoate.
Chemical Property Profile of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
Property Insights of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester has 0 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, o-(2-(diethylamino)ethoxy)-, methyl ester?
The CAS number of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester is 5014-25-5.
What is the molecular formula of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester?
The molecular formula of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester is C14H21NO3.
What is the molecular weight of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester?
The molecular weight of Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester is 251.15 g/mol.
Where can I buy Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester?
You can request a quote for Benzoic acid, o-(2-(diethylamino)ethoxy)-, 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, o-(2-(diethylamino)ethoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.