Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester
TL;DR: Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester (CAS 3095-41-8) is a chemical compound with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
Also Known As: BENZOIC ACID, 4-(2-(DIETHYLAMINO)ACETAMIDO)-3,5-DIMETHYL-, PROPYL ESTER, 4-(2-(Diethylamino)acetamido)-3,5-dimethylbenzoic acid propyl ester, propyl 4-[(N,N-diethylglycyl)amino]-3,5-dimethylbenzoate, propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate, BRN 2393320
| Molecular Formula | C18H28N2O3 |
|---|---|
| Molecular Weight | 320.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.21 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 3095-41-8 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CN(CC)CC)C |
| InChIKey | ZVDFPPXCUNQTEU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester (CAS 3095-41-8), with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol. IUPAC: propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester
Property Insights of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester
The XLogP value of 3.0 indicates that Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester has 1 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, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester?
The CAS number of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester is 3095-41-8.
What is the molecular formula of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester?
The molecular formula of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester is C18H28N2O3.
What is the molecular weight of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester?
The molecular weight of Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester is 320.21 g/mol.
Where can I buy Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester?
You can request a quote for Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl 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, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.