大麦芽碱
TL;DR: 大麦芽碱 (CAS 539-15-1) is a chemical compound with molecular formula C10H15NO and molecular weight 165.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大麦芽碱
4-[2-(dimethylamino)ethyl]phenol
Also Known As: Hordenine, Anhaline, Peyocactine, N,N-Dimethyltyramine, Hordenin
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.11537 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
| Melting Point | 117.5 °C |
| Solubility | 7 mg/mL |
Chemical Identifiers
| CAS Number | 539-15-1 |
|---|---|
| SMILES | CN(C)CCC1=CC=C(C=C1)O |
| InChIKey | KUBCEEMXQZUPDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大麦芽碱 (CAS 539-15-1), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: 4-[2-(dimethylamino)ethyl]phenol.
Chemical Property Profile of 大麦芽碱
Property Insights of 大麦芽碱
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大麦芽碱. With a topological polar surface area (TPSA) of 23.5 Ų, 大麦芽碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 大麦芽碱 has 1 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 大麦芽碱?
The CAS number of 大麦芽碱 is 539-15-1.
What is the molecular formula of 大麦芽碱?
The molecular formula of 大麦芽碱 is C10H15NO.
What is the molecular weight of 大麦芽碱?
The molecular weight of 大麦芽碱 is 165.12 g/mol.
Where can I buy 大麦芽碱?
You can request a quote for 大麦芽碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大麦芽碱?
Yes, KEHONG BIO provides custom synthesis services for 大麦芽碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.