4-Azido-N-methylspiperone
TL;DR: 4-Azido-N-methylspiperone (CAS 104820-55-5) is a chemical compound with molecular formula C24H27FN6O2 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 4-Azido-N-methylspiperone, 4-Azidomethylspiperone, 1-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one, 4-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,4,8-triazaspiro[4.5]decan-1-one, RefChem:97915
| Molecular Formula | C24H27FN6O2 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.21796 |
| Heavy Atoms | 33 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 104820-55-5 |
|---|---|
| SMILES | CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)N=[N+]=[N-] |
| InChIKey | FLOKIYHOMPQMNM-UHFFFAOYSA-N |
Product Overview
4-Azido-N-methylspiperone (CAS 104820-55-5), with molecular formula C24H27FN6O2 and molecular weight 450.22 g/mol. IUPAC: 1-(4-azidophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of 4-Azido-N-methylspiperone
Property Insights of 4-Azido-N-methylspiperone
The XLogP value of 4.5 indicates that 4-Azido-N-methylspiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 4-Azido-N-methylspiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azido-N-methylspiperone has 0 hydrogen bond donor(s) and 7 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 4-Azido-N-methylspiperone?
The CAS number of 4-Azido-N-methylspiperone is 104820-55-5.
What is the molecular formula of 4-Azido-N-methylspiperone?
The molecular formula of 4-Azido-N-methylspiperone is C24H27FN6O2.
What is the molecular weight of 4-Azido-N-methylspiperone?
The molecular weight of 4-Azido-N-methylspiperone is 450.22 g/mol.
Where can I buy 4-Azido-N-methylspiperone?
You can request a quote for 4-Azido-N-methylspiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azido-N-methylspiperone?
Yes, KEHONG BIO provides custom synthesis services for 4-Azido-N-methylspiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.