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CAS 929554-40-5 3-BroMo-4-Methyl-1H-pyrazole-5-carboxylic acid molecular structure lightbox
CAS RN: 929554-40-5

3-BroMo-4-Methyl-1H-pyrazole-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS929554-40-5
  • Purity/Analytical Methods: >99.0%
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929554-40-5 / 5-bromo-4-methyl-1H-pyrazole-3-carboxylic acid

Standard CAS: 929554-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
929554-40-5
Multi CAS
Yes
Molecular Formula
BC5H5O2Rn2
Molecular Weight
205.010000
Exact Mass
203.953440
InChI
InChI=1S/C5H5BrN2O2/c1-2-3(5(9)10)7-8-4(2)6/h1H3,(H,7,8)(H,9,10)
InChIKey
CUBJTYQPUOFEIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.98
TPSA
65.98

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.5
Consensus LogP
1.24
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.13

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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