![CAS 1825395-08-1 Methyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1825395-08-1.gif)
CAS RN: 1825395-08-1
Methyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1825395-08-1
- Purity/Analytical Methods: >99.0%
1825395-08-1 / methyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
Basic Information
CAS
1825395-08-1
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=C2C=C(C=CN2N=C1)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-5-11-12-3-2-6(10)4-8(7)12/h2-5H,1H3
InChIKey
VLYUPRNNFYDULI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.54
TPSA
43.6
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.5
Consensus LogP
1.61
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.75
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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