2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate
TL;DR: 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate (CAS 77944-90-2) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylamino)-3-methoxy-3-phenylpropyl] N-phenylcarbamate
Also Known As: 2-Diethylamino-3-methoxy-3-phenylpropyl carbanilate, gamma-Phenyl-gamma-methoxy-beta-(diethylamino)propyl carbanilate, CARBANILIC ACID, 2-DIETHYLAMINO-3-METHOXY-3-PHENYLPROPYL ESTER, [2-(diethylamino)-3-methoxy-3-phenylpropyl] N-phenylcarbamate, 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 77944-90-2 |
|---|---|
| SMILES | CCN(CC)C(COC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)OC |
| InChIKey | JKDSOFUTHPCORU-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate (CAS 77944-90-2), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: [2-(diethylamino)-3-methoxy-3-phenylpropyl] N-phenylcarbamate.
Chemical Property Profile of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate
Property Insights of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate
The XLogP value of 3.7 indicates that 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate 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-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The CAS number of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate is 77944-90-2.
What is the molecular formula of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The molecular formula of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate is C21H28N2O3.
What is the molecular weight of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate?
The molecular weight of 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate is 356.21 g/mol.
Where can I buy 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate?
You can request a quote for 2-(Diethylamino)-3-methoxy-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-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)-3-methoxy-3-phenylpropyl hydrogen phenylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.