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CAS 925178-99-0 1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid(SALTDATA: FREE) molecular structure lightbox
CAS RN: 925178-99-0

1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid(SALTDATA: FREE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS925178-99-0
  • Purity/Analytical Methods: >99.0%
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925178-99-0 / 1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid

Standard CAS: 925178-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
925178-99-0
Multi CAS
No
Molecular Formula
C10H15N3O4S
Molecular Weight
273.310000
Exact Mass
273.078327
InChI
InChI=1S/C10H15N3O4S/c1-12-7-9(6-11-12)18(16,17)13-4-2-8(3-5-13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKey
RKYIHXMEFXISKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.33
TPSA
92.5

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.07
XLogP3
-0.6
Consensus LogP
-0.25
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45

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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