AI3-37157
TL;DR: AI3-37157 (CAS 78197-84-9) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one
Also Known As: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 1-(2-Methyl-1-oxopropyl)-4-(phenylmethyl)piperidine, 1-(2-Methylpropionyl)-4-benzylpiperidine, 1-(2-METHYL-1-OXOPROPYL)-4-BENZYLPIPERIDINE, Piperidine, 1-(2-methyl-1-oxopropyl)-4-(phenylmethyl)-
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 78197-84-9 |
|---|---|
| SMILES | CC(C)C(=O)N1CCC(CC1)CC2=CC=CC=C2 |
| InChIKey | VACPZZBFCLJGKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AI3-37157 (CAS 78197-84-9), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one.
Chemical Property Profile of AI3-37157
Property Insights of AI3-37157
The XLogP value of 3.5 indicates that AI3-37157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, AI3-37157 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI3-37157 has 0 hydrogen bond donor(s) and 1 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 AI3-37157?
The CAS number of AI3-37157 is 78197-84-9.
What is the molecular formula of AI3-37157?
The molecular formula of AI3-37157 is C16H23NO.
What is the molecular weight of AI3-37157?
The molecular weight of AI3-37157 is 245.18 g/mol.
Where can I buy AI3-37157?
You can request a quote for AI3-37157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI3-37157?
Yes, KEHONG BIO provides custom synthesis services for AI3-37157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.