恶草酸
TL;DR: 恶草酸 (CAS 111479-05-1) is a chemical compound with molecular formula C22H22ClN3O5 and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恶草酸
2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Also Known As: Propaquizafop, Shogun, AGIL, Propaquizafop [ISO], Ugilec 141
| Molecular Formula | C22H22ClN3O5 |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.1248 |
| Heavy Atoms | 31 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 111479-05-1 |
|---|---|
| SMILES | CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl |
| InChIKey | FROBCXTULYFHEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
恶草酸 (CAS 111479-05-1), with molecular formula C22H22ClN3O5 and molecular weight 443.12 g/mol. IUPAC: 2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate.
Chemical Property Profile of 恶草酸
Property Insights of 恶草酸
The XLogP value of 4.6 indicates that 恶草酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 恶草酸. Following Lipinski's Rule of Five, 恶草酸 has 0 hydrogen bond donor(s) and 8 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 恶草酸?
The CAS number of 恶草酸 is 111479-05-1.
What is the molecular formula of 恶草酸?
The molecular formula of 恶草酸 is C22H22ClN3O5.
What is the molecular weight of 恶草酸?
The molecular weight of 恶草酸 is 443.12 g/mol.
Where can I buy 恶草酸?
You can request a quote for 恶草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恶草酸?
Yes, KEHONG BIO provides custom synthesis services for 恶草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.