![5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/926/92629-31-7.png)
5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one (CAS 92629-31-7) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-chloroethylamino)-12-methyl-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: BAS 01121531, 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one, 5-(2-Chloro-ethylamino)-3-methyl-anthra[1,9-cd]isoxazol-6-one, 5-[(2-chloroethyl)amino]-3-methyl-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.99832 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 914.4081 |
Chemical Identifiers
| CAS Number | 92629-31-7 |
|---|---|
| SMILES | CC1=CC(=C2C3=C(C4=CC=CC=C4C2=O)ON=C13)NCCCl |
Product Overview
5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one (CAS 92629-31-7), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: 10-(2-chloroethylamino)-12-methyl-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 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 3.99832 indicates that 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one has 1 hydrogen bond donor(s) and 4 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 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one is 92629-31-7.
What is the molecular formula of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one is C17H13ClN2O2.
What is the molecular weight of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one is 312.07 g/mol.
Where can I buy 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-((2-chloroethyl)amino)-3-methyl-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 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-chloroethyl)amino)-3-methyl-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.