CAS RN: 89692-15-9
2-((4-chloropyridin-2-yl)oxy)acetic acid(WXC09575)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251130 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89692-15-9
- Purity/Analytical Methods: >99.0%
89692-15-9 / 2-[(4-chloro-2-pyridinyl)oxy]acetic acid
Basic Information
CAS
89692-15-9
Multi CAS
No
Molecular Formula
C7H6CLNO3
Molecular Weight
187.580000
Exact Mass
187.003621
InChI
InChI=1S/C7H6ClNO3/c8-5-1-2-9-6(3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
IFZAKRCXVXAFBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.38
TPSA
59.42
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
