Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride
TL;DR: Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride (CAS 97555-44-7) is a chemical compound with molecular formula C16H25ClN2O3 and molecular weight 328.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium chloride
Also Known As: p-(2-(Diethylamino)propionamido)benzoic acid ethyl ester hydrochloride, BENZOIC ACID, p-(2-(DIETHYLAMINO)PROPIONAMIDO)-, ETHYL ESTER, HYDROCHLORIDE, [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium chloride, RefChem:327810
| Molecular Formula | C16H25ClN2O3 |
|---|---|
| Molecular Weight | 328.16 g/mol |
| LogP | -1.88 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.15536 |
| Heavy Atoms | 22 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 97555-44-7 |
|---|---|
| SMILES | CC[NH+](CC)C(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC.[Cl-] |
| InChIKey | AACKSCFEKFXVFL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride (CAS 97555-44-7), with molecular formula C16H25ClN2O3 and molecular weight 328.16 g/mol. IUPAC: [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl]-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride
Property Insights of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride
The XLogP value of -1.88 indicates that Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.8 Ų, Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride has 2 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-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride is 97555-44-7.
What is the molecular formula of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride is C16H25ClN2O3.
What is the molecular weight of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride is 328.16 g/mol.
Where can I buy Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-(2-(diethylamino)propionamido)-, 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 Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(2-(diethylamino)propionamido)-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.