CAS RN: 76578-12-6
QUIZALOFOP
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76578-12-6
- Purity/Analytical Methods: >99.0%
76578-12-6 / 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Basic Information
CAS
76578-12-6
Multi CAS
Yes
Molecular Formula
C17H13CLN2O4
Molecular Weight
344.700000
Exact Mass
344.056385
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
InChIKey
ABOOPXYCKNFDNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.79
TPSA
81.54
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
3.6
Consensus LogP
3.67
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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