2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate
TL;DR: 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate (CAS 77944-91-3) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-3-hydroxy-3-phenylpropyl] N-phenylcarbamate
Also Known As: 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl carbanilate, gamma-Phenyl-gamma-hydroxy-beta-(diethylamino)propyl carbanilate, [2-(dimethylamino)-3-hydroxy-3-phenylpropyl] N-phenylcarbamate, CARBANILIC ACID, 2-(DIMETHYLAMINO)-3-HYDROXY-3-PHENYLPROPYL ESTER, [2-(Dimethylamino)-3-hydroxy-3-phenylpropyl]n-phenylcarbamate
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 77944-91-3 |
|---|---|
| SMILES | CN(C)C(COC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)O |
| InChIKey | PIBDNVHDXOALIE-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate (CAS 77944-91-3), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: [2-(dimethylamino)-3-hydroxy-3-phenylpropyl] N-phenylcarbamate.
Chemical Property Profile of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate
Property Insights of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate. Following Lipinski's Rule of Five, 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate 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 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The CAS number of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate is 77944-91-3.
What is the molecular formula of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The molecular formula of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate is C18H22N2O3.
What is the molecular weight of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The molecular weight of 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate is 314.16 g/mol.
Where can I buy 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate?
You can request a quote for 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.