对庚氧基-α-甲基苄胺
TL;DR: 对庚氧基-α-甲基苄胺 (CAS 106989-59-7) is a chemical compound with molecular formula C15H25NO and molecular weight 235.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对庚氧基-α-甲基苄胺
1-(4-heptoxyphenyl)ethanamine
Also Known As: 1-(4-heptoxyphenyl)ethanamine, p-(Heptyloxy)-alpha-methylbenzylamine, 1-[4-(heptyloxy)phenyl]ethanamine, BENZYLAMINE, p-(HEPTYLOXY)-alpha-METHYL-, 1-[4-(Heptyloxy)phenyl]ethan-1-amine
| Molecular Formula | C15H25NO |
|---|---|
| Molecular Weight | 235.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 235.19362 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 106989-59-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C(C)N |
| InChIKey | QVKVIGRBJWHCGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对庚氧基-α-甲基苄胺 (CAS 106989-59-7), with molecular formula C15H25NO and molecular weight 235.19 g/mol. IUPAC: 1-(4-heptoxyphenyl)ethanamine.
Chemical Property Profile of 对庚氧基-α-甲基苄胺
Property Insights of 对庚氧基-α-甲基苄胺
The XLogP value of 4.0 indicates that 对庚氧基-α-甲基苄胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 对庚氧基-α-甲基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对庚氧基-α-甲基苄胺 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 对庚氧基-α-甲基苄胺?
The CAS number of 对庚氧基-α-甲基苄胺 is 106989-59-7.
What is the molecular formula of 对庚氧基-α-甲基苄胺?
The molecular formula of 对庚氧基-α-甲基苄胺 is C15H25NO.
What is the molecular weight of 对庚氧基-α-甲基苄胺?
The molecular weight of 对庚氧基-α-甲基苄胺 is 235.19 g/mol.
Where can I buy 对庚氧基-α-甲基苄胺?
You can request a quote for 对庚氧基-α-甲基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对庚氧基-α-甲基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 对庚氧基-α-甲基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.