CAS RN: 35845-23-9
2-(7-CHLORO-1H-INDAZOL-3-YL)ACETIC ACID
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.20250226 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS35845-23-9
- Purity/Analytical Methods: >99.0%
35845-23-9 / 2-(7-chloro-2H-indazol-3-yl)acetic acid
Basic Information
CAS
35845-23-9
Multi CAS
No
Molecular Formula
C9H7CLN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
InChI
InChI=1S/C9H7ClN2O2/c10-6-3-1-2-5-7(4-8(13)14)11-12-9(5)6/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKey
VYCCKYGSHUNHAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.44
TPSA
65.98
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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