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CAS 1351386-56-5 (1,4,6,7-Tetrahydro-pyrano[4,3-c]pyrazol-3-yl)-methanol molecular structure lightbox
CAS RN: 1351386-56-5

(1,4,6,7-Tetrahydro-pyrano[4,3-c]pyrazol-3-yl)-methanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1351386-56-5
  • Purity/Analytical Methods: >99.0%
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1351386-56-5 / 1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethanol

Standard CAS: 1351386-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1351386-56-5
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
C1COCC2=C1NN=C2CO
InChI
InChI=1S/C7H10N2O2/c10-3-7-5-4-11-2-1-6(5)8-9-7/h10H,1-4H2,(H,8,9)
InChIKey
NEJJDFMHNBVRBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.87
TPSA
58.14

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.9
Consensus LogP
-0.32
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.68

Drug-likeness / Medicinal Chemistry

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

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