N-戊基-1,4-苯并二噁烷-2-甲胺
TL;DR: N-戊基-1,4-苯并二噁烷-2-甲胺 (CAS 4442-63-1) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-戊基-1,4-苯并二噁烷-2-甲胺
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine
Also Known As: Fourneau 969, n-Amylaminomethylbenzodioxan, N-Pentyl-1,4-benzodioxan-2-methylamine, 969F, 1,4-BENZODIOXAN-2-METHYLAMINE, N-PENTYL-
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 4442-63-1 |
|---|---|
| SMILES | CCCCCNCC1COC2=CC=CC=C2O1 |
| InChIKey | XWNMXSFEFMAVBT-UHFFFAOYSA-N |
Product Overview
N-戊基-1,4-苯并二噁烷-2-甲胺 (CAS 4442-63-1), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pentan-1-amine.
Chemical Property Profile of N-戊基-1,4-苯并二噁烷-2-甲胺
Property Insights of N-戊基-1,4-苯并二噁烷-2-甲胺
The XLogP value of 3.1 indicates that N-戊基-1,4-苯并二噁烷-2-甲胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-戊基-1,4-苯并二噁烷-2-甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-戊基-1,4-苯并二噁烷-2-甲胺 has 1 hydrogen bond donor(s) and 3 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 N-戊基-1,4-苯并二噁烷-2-甲胺?
The CAS number of N-戊基-1,4-苯并二噁烷-2-甲胺 is 4442-63-1.
What is the molecular formula of N-戊基-1,4-苯并二噁烷-2-甲胺?
The molecular formula of N-戊基-1,4-苯并二噁烷-2-甲胺 is C14H21NO2.
What is the molecular weight of N-戊基-1,4-苯并二噁烷-2-甲胺?
The molecular weight of N-戊基-1,4-苯并二噁烷-2-甲胺 is 235.16 g/mol.
Where can I buy N-戊基-1,4-苯并二噁烷-2-甲胺?
You can request a quote for N-戊基-1,4-苯并二噁烷-2-甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-戊基-1,4-苯并二噁烷-2-甲胺?
Yes, KEHONG BIO provides custom synthesis services for N-戊基-1,4-苯并二噁烷-2-甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.