![3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/395/395680-35-0.png)
3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 395680-35-0) is a chemical compound with molecular formula C27H23N5O3 and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(3-imidazol-1-ylpropylamino)-10-(4-methoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one, 3-{[3-(1H-imidazol-1-yl)propyl]amino}-5-[(4-methoxyphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C27H23N5O3 |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 5.4901 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.18008 |
| Heavy Atoms | 35 |
| Complexity | 1521.024 |
Chemical Identifiers
| CAS Number | 395680-35-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)NCCCN6C=CN=C6 |
Product Overview
3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 395680-35-0), with molecular formula C27H23N5O3 and molecular weight 465.18 g/mol. IUPAC: 12-(3-imidazol-1-ylpropylamino)-10-(4-methoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.4901 indicates that 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 395680-35-0.
What is the molecular formula of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is C27H23N5O3.
What is the molecular weight of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one is 465.18 g/mol.
Where can I buy 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(1H-imidazol-1-yl)propyl)amino)-5-((4-methoxyphenyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.