N-n-Butyl-n-hexylamine
TL;DR: N-n-Butyl-n-hexylamine (CAS 33382-08-0) is a chemical compound with molecular formula C28H31NO3 and molecular weight 429.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[(3R,4S)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine
Also Known As: N-n-Butyl-n-hexylamine, KST-1B3795, 4-Amino-5-methyl-2.1.3-benzthiodiazol, J1.297.788C, (Z)-1-(2-(4-(3,4-Dihydro-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine
| Molecular Formula | C28H31NO3 |
|---|---|
| Molecular Weight | 429.23 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.2304 |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 33382-08-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]([C@@H](CO2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5 |
| InChIKey | SKXCQODDFFKXHF-XCZPVHLTSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-n-Butyl-n-hexylamine (CAS 33382-08-0), with molecular formula C28H31NO3 and molecular weight 429.23 g/mol. IUPAC: 1-[2-[4-[(3R,4S)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of N-n-Butyl-n-hexylamine
Property Insights of N-n-Butyl-n-hexylamine
The XLogP value of 5.6 indicates that N-n-Butyl-n-hexylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, N-n-Butyl-n-hexylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-n-Butyl-n-hexylamine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-n-Butyl-n-hexylamine?
The CAS number of N-n-Butyl-n-hexylamine is 33382-08-0.
What is the molecular formula of N-n-Butyl-n-hexylamine?
The molecular formula of N-n-Butyl-n-hexylamine is C28H31NO3.
What is the molecular weight of N-n-Butyl-n-hexylamine?
The molecular weight of N-n-Butyl-n-hexylamine is 429.23 g/mol.
Where can I buy N-n-Butyl-n-hexylamine?
You can request a quote for N-n-Butyl-n-hexylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-n-Butyl-n-hexylamine?
Yes, KEHONG BIO provides custom synthesis services for N-n-Butyl-n-hexylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.