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CAS 2089381-00-8 6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 2089381-00-8

6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260626 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251018 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250806 1g In stock Shanghai Inquiry
Batchno.20250327 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250817 5g Out of stock Inquiry
  • Product code: LINB900471
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2089381-00-8 / 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

Standard CAS: 2089381-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089381-00-8
Multi CAS
No
Molecular Formula
C9H7BrN2O3
Molecular Weight
271.070000
Exact Mass
269.964000
SMILES
COC1=CC(=CN2C1=C(C=N2)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O3/c1-15-7-2-5(10)4-12-8(7)6(3-11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
BGKFALGNEKIVLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.4
TPSA
63.83

LogP / Solubility

WLOGP
1.8
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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