Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester (CAS 7483-01-4) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate
Also Known As: BENZOIC ACID, p-(1-ALLYL-1-CARBAMOYL-3-BUTENYL)-, 2-(DIETHYLAMINO)ETHYL ESTER, p-(1-Allyl-1-carbamoyl-3-butenyl)benzoic acid 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate, 2-diethylaminoethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate, RefChem:327800
| Molecular Formula | C21H30N2O3 |
|---|---|
| Molecular Weight | 358.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 358.22565 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 7483-01-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N |
| InChIKey | LSQBSDZQJYCGNK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester (CAS 7483-01-4), with molecular formula C21H30N2O3 and molecular weight 358.23 g/mol. IUPAC: 2-(diethylamino)ethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate.
Chemical Property Profile of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester
The XLogP value of 3.4 indicates that Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl 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, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester is 7483-01-4.
What is the molecular formula of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester is C21H30N2O3.
What is the molecular weight of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester is 358.23 g/mol.
Where can I buy Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl 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, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.