4-甲基-α-乙基-间酪胺
TL;DR: 4-甲基-α-乙基-间酪胺 (CAS 34863-14-4) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-α-乙基-间酪胺
5-(2-aminobutyl)-2-methylphenol
Also Known As: 5-(2-Aminobutyl)-2-methylphenol, alpha-Ethyl-4-methylmetatyramine, 4-Methyl-alpha-ethyl-m-tyramine, o-Cresol, 5-(2-aminobutyl)-, ZPDWHORJHVKVPL-UHFFFAOYSA-
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 34863-14-4 |
|---|---|
| SMILES | CCC(CC1=CC(=C(C=C1)C)O)N |
| InChIKey | ZPDWHORJHVKVPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-α-乙基-间酪胺 (CAS 34863-14-4), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 5-(2-aminobutyl)-2-methylphenol.
Chemical Property Profile of 4-甲基-α-乙基-间酪胺
Property Insights of 4-甲基-α-乙基-间酪胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-α-乙基-间酪胺. With a topological polar surface area (TPSA) of 46.3 Ų, 4-甲基-α-乙基-间酪胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-α-乙基-间酪胺 has 2 hydrogen bond donor(s) and 2 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-α-乙基-间酪胺?
The CAS number of 4-甲基-α-乙基-间酪胺 is 34863-14-4.
What is the molecular formula of 4-甲基-α-乙基-间酪胺?
The molecular formula of 4-甲基-α-乙基-间酪胺 is C11H17NO.
What is the molecular weight of 4-甲基-α-乙基-间酪胺?
The molecular weight of 4-甲基-α-乙基-间酪胺 is 179.13 g/mol.
Where can I buy 4-甲基-α-乙基-间酪胺?
You can request a quote for 4-甲基-α-乙基-间酪胺 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-α-乙基-间酪胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-α-乙基-间酪胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.