1-甲基哌啶-4-甲酸二苯甲酯
TL;DR: 1-甲基哌啶-4-甲酸二苯甲酯 (CAS 102395-67-5) is a chemical compound with molecular formula C20H23NO2 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基哌啶-4-甲酸二苯甲酯
benzhydryl 1-methylpiperidine-4-carboxylate
Also Known As: Diphenylmethyl 1-methylisonipecotate, benzhydryl 1-methylpiperidine-4-carboxylate, ISONIPECOTIC ACID, 1-METHYL-, DIPHENYLMETHYL ESTER, diphenylmethyl 1-methylpiperidine-4-carboxylate, 4-Piperidinecarboxylicacid, 1-methyl-, diphenylmethyl ester
| Molecular Formula | C20H23NO2 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.17288 |
| Heavy Atoms | 23 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 102395-67-5 |
|---|---|
| SMILES | CN1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | GXGDVGOXIUXQPR-UHFFFAOYSA-N |
Product Overview
1-甲基哌啶-4-甲酸二苯甲酯 (CAS 102395-67-5), with molecular formula C20H23NO2 and molecular weight 309.17 g/mol. IUPAC: benzhydryl 1-methylpiperidine-4-carboxylate.
Chemical Property Profile of 1-甲基哌啶-4-甲酸二苯甲酯
Property Insights of 1-甲基哌啶-4-甲酸二苯甲酯
The XLogP value of 3.8 indicates that 1-甲基哌啶-4-甲酸二苯甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-甲基哌啶-4-甲酸二苯甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基哌啶-4-甲酸二苯甲酯 has 0 hydrogen bond donor(s) and 3 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 1-甲基哌啶-4-甲酸二苯甲酯?
The CAS number of 1-甲基哌啶-4-甲酸二苯甲酯 is 102395-67-5.
What is the molecular formula of 1-甲基哌啶-4-甲酸二苯甲酯?
The molecular formula of 1-甲基哌啶-4-甲酸二苯甲酯 is C20H23NO2.
What is the molecular weight of 1-甲基哌啶-4-甲酸二苯甲酯?
The molecular weight of 1-甲基哌啶-4-甲酸二苯甲酯 is 309.17 g/mol.
Where can I buy 1-甲基哌啶-4-甲酸二苯甲酯?
You can request a quote for 1-甲基哌啶-4-甲酸二苯甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基哌啶-4-甲酸二苯甲酯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基哌啶-4-甲酸二苯甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.