Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester
TL;DR: Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester (CAS 5014-29-9) is a chemical compound with molecular formula C14H19N3O7 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitrobenzoate
Also Known As: Sch 1308, methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitrobenzoate, 2-(2-(Diethylamino)ethoxy)-3,5-dinitro-benzoic acid methyl ester, BENZOIC ACID, 2-(2-(DIETHYLAMINO)ETHOXY)-3,5-DINITRO-, METHYL ESTER, methyl 2-(2-diethylaminoethyloxy)-3,5-dinitrobenzoate
| Molecular Formula | C14H19N3O7 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.1223 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 5014-29-9 |
|---|---|
| SMILES | CCN(CC)CCOC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
| InChIKey | NCAUZLQEZPYWLI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester (CAS 5014-29-9), with molecular formula C14H19N3O7 and molecular weight 341.12 g/mol. IUPAC: methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitrobenzoate.
Chemical Property Profile of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester
Property Insights of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester has 0 hydrogen bond donor(s) and 8 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, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester?
The CAS number of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester is 5014-29-9.
What is the molecular formula of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester?
The molecular formula of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester is C14H19N3O7.
What is the molecular weight of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester?
The molecular weight of Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester is 341.12 g/mol.
Where can I buy Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester?
You can request a quote for Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, 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, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.