N-n-Butylphenanthreneimine
TL;DR: N-n-Butylphenanthreneimine (CAS 64188-66-5) is a chemical compound with molecular formula C18H19N and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-1a,9b-dihydrophenanthro[9,10-b]azirine
Also Known As: Bothrioclinin, N-n-Butylphenanthreneimine, N-Butylphenanthrene 9,10-imine, 1H-Phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-butyl-, 1-Butyl-1a,9b-dihydro-1H-phenanthro(9,10-b)azirine
| Molecular Formula | C18H19N |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.15175 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 64188-66-5 |
|---|---|
| SMILES | CCCCN1C2C1C3=CC=CC=C3C4=CC=CC=C24 |
| InChIKey | MYTZVIORDXTLQG-UHFFFAOYSA-N |
Product Overview
N-n-Butylphenanthreneimine (CAS 64188-66-5), with molecular formula C18H19N and molecular weight 249.15 g/mol. IUPAC: 1-butyl-1a,9b-dihydrophenanthro[9,10-b]azirine.
Chemical Property Profile of N-n-Butylphenanthreneimine
Property Insights of N-n-Butylphenanthreneimine
The XLogP value of 4.1 indicates that N-n-Butylphenanthreneimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.0 Ų, N-n-Butylphenanthreneimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-n-Butylphenanthreneimine has 0 hydrogen bond donor(s) and 1 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-n-Butylphenanthreneimine?
The CAS number of N-n-Butylphenanthreneimine is 64188-66-5.
What is the molecular formula of N-n-Butylphenanthreneimine?
The molecular formula of N-n-Butylphenanthreneimine is C18H19N.
What is the molecular weight of N-n-Butylphenanthreneimine?
The molecular weight of N-n-Butylphenanthreneimine is 249.15 g/mol.
Where can I buy N-n-Butylphenanthreneimine?
You can request a quote for N-n-Butylphenanthreneimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-n-Butylphenanthreneimine?
Yes, KEHONG BIO provides custom synthesis services for N-n-Butylphenanthreneimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.