A4016/0171265
TL;DR: A4016/0171265 (CAS 858767-90-5) is a chemical compound with molecular formula C21H35NO2 and molecular weight 333.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpentan-1-amine
Also Known As: A4016/0171265, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(4-methoxybenzyl)-4-methylpentan-1-amine, [3-(2,2-DIMETHYLOXAN-4-YL)-4-METHYLPENTYL][(4-METHOXYPHENYL)METHYL]AMINE, 3-(2,2-dimethyloxan-4-yl)-N-[(4-methoxy-phenyl)methyl]-4-methylpentan-1-amine, 3-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpentan-1-amine
| Molecular Formula | C21H35NO2 |
|---|---|
| Molecular Weight | 333.27 g/mol |
| LogP | 4.6523 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.26678 |
| Heavy Atoms | 24 |
| Complexity | 481.11703 |
Chemical Identifiers
| CAS Number | 858767-90-5 |
|---|---|
| SMILES | CC(C)C(CCNCC1=CC=C(C=C1)OC)C2CCOC(C2)(C)C |
Product Overview
A4016/0171265 (CAS 858767-90-5), with molecular formula C21H35NO2 and molecular weight 333.27 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpentan-1-amine.
Chemical Property Profile of A4016/0171265
Property Insights of A4016/0171265
The XLogP value of 4.6523 indicates that A4016/0171265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, A4016/0171265 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4016/0171265 has 1 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 A4016/0171265?
The CAS number of A4016/0171265 is 858767-90-5.
What is the molecular formula of A4016/0171265?
The molecular formula of A4016/0171265 is C21H35NO2.
What is the molecular weight of A4016/0171265?
The molecular weight of A4016/0171265 is 333.27 g/mol.
Where can I buy A4016/0171265?
You can request a quote for A4016/0171265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4016/0171265?
Yes, KEHONG BIO provides custom synthesis services for A4016/0171265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.