叔丁哌苯
TL;DR: 叔丁哌苯 (CAS 57982-78-2) is a chemical compound with molecular formula C21H27N and molecular weight 293.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁哌苯
1-tert-butyl-4,4-diphenylpiperidine
Also Known As: Budipine, Budipinum, Budipin, Budipine [INN], budipino
| Molecular Formula | C21H27N |
|---|---|
| Molecular Weight | 293.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.21436 |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 57982-78-2 |
|---|---|
| SMILES | CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | QIHLUZAFSSMXHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁哌苯 (CAS 57982-78-2), with molecular formula C21H27N and molecular weight 293.21 g/mol. IUPAC: 1-tert-butyl-4,4-diphenylpiperidine.
Chemical Property Profile of 叔丁哌苯
Property Insights of 叔丁哌苯
The XLogP value of 5.2 indicates that 叔丁哌苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 叔丁哌苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁哌苯 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 叔丁哌苯?
The CAS number of 叔丁哌苯 is 57982-78-2.
What is the molecular formula of 叔丁哌苯?
The molecular formula of 叔丁哌苯 is C21H27N.
What is the molecular weight of 叔丁哌苯?
The molecular weight of 叔丁哌苯 is 293.21 g/mol.
Where can I buy 叔丁哌苯?
You can request a quote for 叔丁哌苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁哌苯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁哌苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.