S-喹禾灵酸
TL;DR: S-喹禾灵酸 (CAS 100760-08-5) is a chemical compound with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-喹禾灵酸
(2S)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Also Known As: S-Quizalofop-acid, Quizalofop, (S)-, (S)-quizalofop, (-)-quizalofop, (-)-quizalofop-acid
| Molecular Formula | C17H13ClN2O4 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0564 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 100760-08-5 |
|---|---|
| SMILES | C[C@@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl |
| InChIKey | ABOOPXYCKNFDNJ-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-喹禾灵酸 (CAS 100760-08-5), with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol. IUPAC: (2S)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.
Chemical Property Profile of S-喹禾灵酸
Property Insights of S-喹禾灵酸
The XLogP value of 3.6 indicates that S-喹禾灵酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-喹禾灵酸. Following Lipinski's Rule of Five, S-喹禾灵酸 has 1 hydrogen bond donor(s) and 6 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 S-喹禾灵酸?
The CAS number of S-喹禾灵酸 is 100760-08-5.
What is the molecular formula of S-喹禾灵酸?
The molecular formula of S-喹禾灵酸 is C17H13ClN2O4.
What is the molecular weight of S-喹禾灵酸?
The molecular weight of S-喹禾灵酸 is 344.06 g/mol.
Where can I buy S-喹禾灵酸?
You can request a quote for S-喹禾灵酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-喹禾灵酸?
Yes, KEHONG BIO provides custom synthesis services for S-喹禾灵酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.