2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate
TL;DR: 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate (CAS 78329-95-0) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylamino)-3-hydroxy-3-phenylpropyl] benzoate
Also Known As: 2-Diethylamino-3-hydroxy-3-phenylpropyl benzoate, 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate, [2-(diethylamino)-3-hydroxy-3-phenylpropyl] benzoate, gamma-Phenyl-gamma-hydroxy-beta-(diethylamino)propyl benzoate, 2-(Diethylamino)-3-hydroxy-3-phenylpropyl=benzoate
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 78329-95-0 |
|---|---|
| SMILES | CCN(CC)C(COC(=O)C1=CC=CC=C1)C(C2=CC=CC=C2)O |
| InChIKey | TUUQNMFXJDKNHU-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate (CAS 78329-95-0), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: [2-(diethylamino)-3-hydroxy-3-phenylpropyl] benzoate.
Chemical Property Profile of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate
Property Insights of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate
The XLogP value of 3.5 indicates that 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate 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 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate?
The CAS number of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate is 78329-95-0.
What is the molecular formula of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate?
The molecular formula of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate is C20H25NO3.
What is the molecular weight of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate?
The molecular weight of 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate is 327.18 g/mol.
Where can I buy 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate?
You can request a quote for 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)-3-hydroxy-3-phenylpropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.