二苯氧基化物
TL;DR: 二苯氧基化物 (CAS 915-30-0) is a chemical compound with molecular formula C30H32N2O2 and molecular weight 452.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯氧基化物
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
Also Known As: DIPHENOXYLATE, Difenoxilato, Diphenoxylatum, Difenossilato, Lomotil
| Molecular Formula | C30H32N2O2 |
|---|---|
| Molecular Weight | 452.25 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.24637 |
| Heavy Atoms | 34 |
| Complexity | 666.0 |
| Melting Point | 220.5-222 |
| Solubility | 800 |
Chemical Identifiers
| CAS Number | 915-30-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | HYPPXZBJBPSRLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯氧基化物 (CAS 915-30-0), with molecular formula C30H32N2O2 and molecular weight 452.25 g/mol. IUPAC: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of 二苯氧基化物
Property Insights of 二苯氧基化物
The XLogP value of 5.7 indicates that 二苯氧基化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 二苯氧基化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯氧基化物 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二苯氧基化物?
The CAS number of 二苯氧基化物 is 915-30-0.
What is the molecular formula of 二苯氧基化物?
The molecular formula of 二苯氧基化物 is C30H32N2O2.
What is the molecular weight of 二苯氧基化物?
The molecular weight of 二苯氧基化物 is 452.25 g/mol.
Where can I buy 二苯氧基化物?
You can request a quote for 二苯氧基化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯氧基化物?
Yes, KEHONG BIO provides custom synthesis services for 二苯氧基化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.