1-(3,4,5-Trimethoxyphenyl)heptan-2-amine
TL;DR: 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine (CAS 67293-57-6) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxyphenyl)heptan-2-amine
Also Known As: 1-(3,4,5-trimethoxyphenyl)heptan-2-amine, alpha-Pentyl-3,4,5-trimethoxyphenethylamine, Phenethylamine, alpha-pentyl-3,4,5-trimethoxy-, 3,4,5-Trimethoxy-alpha-pentylbenzeneethanamine, Benzeneethanamine, 3,4,5-trimethoxy-.alpha.-pentyl-
| Molecular Formula | C16H27NO3 |
|---|---|
| Molecular Weight | 281.20 g/mol |
| LogP | 3.1625 |
| Topological Polar Surface Area | 53.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.1991 |
| Heavy Atoms | 20 |
| Complexity | 381.7036 |
Chemical Identifiers
| CAS Number | 67293-57-6 |
|---|---|
| SMILES | CCCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N |
Product Overview
1-(3,4,5-Trimethoxyphenyl)heptan-2-amine (CAS 67293-57-6), with molecular formula C16H27NO3 and molecular weight 281.20 g/mol. IUPAC: 1-(3,4,5-trimethoxyphenyl)heptan-2-amine.
Chemical Property Profile of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine
Property Insights of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine
The XLogP value of 3.1625 indicates that 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.71 Ų, 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine has 1 hydrogen bond donor(s) and 4 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 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine?
The CAS number of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine is 67293-57-6.
What is the molecular formula of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine?
The molecular formula of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine is C16H27NO3.
What is the molecular weight of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine?
The molecular weight of 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine is 281.20 g/mol.
Where can I buy 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine?
You can request a quote for 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethoxyphenyl)heptan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.