Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)
TL;DR: Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) (CAS 67465-34-3) is a chemical compound with molecular formula C15H22ClNO4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxy-3-ethoxycarbonyl-4-oxo-3-phenylbutyl)azanium chloride
Also Known As: Diethyl 2-aminoethyl-phenylmalonate hydrochloride, (4-ethoxy-3-ethoxycarbonyl-4-oxo-3-phenylbutyl)azanium chloride, MALONIC ACID, (2-AMINOETHYL)PHENYL-, DIETHYL ESTER, HYDROCHLORIDE, Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1), Propanedioic acid, (2-aminoethyl)phenyl-, diethyl ester, hydrochloride
| Molecular Formula | C15H22ClNO4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | -2.31 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 315.12375 |
| Heavy Atoms | 21 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 67465-34-3 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])(C1=CC=CC=C1)C(=O)OCC.[Cl-] |
| InChIKey | CKAVMDYCBCKERR-UHFFFAOYSA-N |
Product Overview
Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) (CAS 67465-34-3), with molecular formula C15H22ClNO4 and molecular weight 315.12 g/mol. IUPAC: (4-ethoxy-3-ethoxycarbonyl-4-oxo-3-phenylbutyl)azanium chloride.
Chemical Property Profile of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)
Property Insights of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)
The XLogP value of -2.31 indicates that Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 5 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 Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)?
The CAS number of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) is 67465-34-3.
What is the molecular formula of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)?
The molecular formula of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) is C15H22ClNO4.
What is the molecular weight of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)?
The molecular weight of Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) is 315.12 g/mol.
Where can I buy Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)?
You can request a quote for Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-aminoethyl)(phenyl)propanedioate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.