4-甲基-1-苯基戊-3-胺
TL;DR: 4-甲基-1-苯基戊-3-胺 (CAS 54431-33-3) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1-苯基戊-3-胺
4-methyl-1-phenylpentan-3-amine
Also Known As: 4-methyl-1-phenylpentan-3-amine, 1-(4-amino-3,5-dichlorophenyl)-2-(dimethylamino)ethanol
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 54431-33-3 |
|---|---|
| SMILES | CC(C)C(CCC1=CC=CC=C1)N |
| InChIKey | MQCYPOVFQBAQCT-UHFFFAOYSA-N |
Product Overview
4-甲基-1-苯基戊-3-胺 (CAS 54431-33-3), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 4-methyl-1-phenylpentan-3-amine.
Chemical Property Profile of 4-甲基-1-苯基戊-3-胺
Property Insights of 4-甲基-1-苯基戊-3-胺
The XLogP value of 3.0 indicates that 4-甲基-1-苯基戊-3-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-甲基-1-苯基戊-3-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1-苯基戊-3-胺 has 1 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 4-甲基-1-苯基戊-3-胺?
The CAS number of 4-甲基-1-苯基戊-3-胺 is 54431-33-3.
What is the molecular formula of 4-甲基-1-苯基戊-3-胺?
The molecular formula of 4-甲基-1-苯基戊-3-胺 is C12H19N.
What is the molecular weight of 4-甲基-1-苯基戊-3-胺?
The molecular weight of 4-甲基-1-苯基戊-3-胺 is 177.15 g/mol.
Where can I buy 4-甲基-1-苯基戊-3-胺?
You can request a quote for 4-甲基-1-苯基戊-3-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1-苯基戊-3-胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1-苯基戊-3-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.