苄替啶
TL;DR: 苄替啶 (CAS 3691-78-9) is a chemical compound with molecular formula C23H29NO3 and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄替啶
ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate
Also Known As: BENZETHIDINE, Benzethidin, Benzethidinum, Benzetidina, Bencetidina
| Molecular Formula | C23H29NO3 |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.21475 |
| Heavy Atoms | 27 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 3691-78-9 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCOCC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | UVTBZAWTRVBTMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄替啶 (CAS 3691-78-9), with molecular formula C23H29NO3 and molecular weight 367.21 g/mol. IUPAC: ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate.
Chemical Property Profile of 苄替啶
Property Insights of 苄替啶
The XLogP value of 3.8 indicates that 苄替啶 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 苄替啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄替啶 has 0 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 苄替啶?
The CAS number of 苄替啶 is 3691-78-9.
What is the molecular formula of 苄替啶?
The molecular formula of 苄替啶 is C23H29NO3.
What is the molecular weight of 苄替啶?
The molecular weight of 苄替啶 is 367.21 g/mol.
Where can I buy 苄替啶?
You can request a quote for 苄替啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄替啶?
Yes, KEHONG BIO provides custom synthesis services for 苄替啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.