![CAS 118055-03-1 2-{pyrazolo[1,5-a]pyridin-3-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118055-03-1.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
118055-03-1 / 2-pyrazolo[1,5-a]pyridin-3-ylacetic acid
2-{pyrazolo[1,5-a]pyridin-3-yl}acetic acid | 2-(Pyrazolo[1,5-a]pyridin-3-yl)acetic acid | 2-(pyrazolo(1,5-a)pyridin-3-yl)acetic acid
Basic Information
CAS
118055-03-1
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
C1=CC2=C(C=NN2C=C1)CC(=O)O
InChI
InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-11-4-2-1-3-8(7)11/h1-4,6H,5H2,(H,12,13)
InChIKey
VJVCNAGVXRMLPL-UHFFFAOYSA-N
Synonyms
2-{pyrazolo[1,5-a]pyridin-3-yl}acetic acid
2-(Pyrazolo[1,5-a]pyridin-3-yl)acetic acid
2-(pyrazolo(1,5-a)pyridin-3-yl)acetic acid
RefChem:462073
817-225-2
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.53
TPSA
54.6
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.5
Consensus LogP
0.77
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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