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CAS 1330765-10-0 Tert-Butyl 3-(Hydroxymethyl)-1-Isopropyl-4,5-Dihydro-1H-Pyrazolo[3,4-C]Pyridine-6(7H)-Carboxylate molecular structure lightbox
CAS RN: 1330765-10-0

Tert-Butyl 3-(Hydroxymethyl)-1-Isopropyl-4,5-Dihydro-1H-Pyrazolo[3,4-C]Pyridine-6(7H)-Carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1330765-10-0
  • Purity/Analytical Methods: >99.0%
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1330765-10-0 / tert-butyl 3-(hydroxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

Standard CAS: 1330765-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330765-10-0
Multi CAS
No
Molecular Formula
C15H25N3O3
Molecular Weight
295.380000
Exact Mass
295.189592
SMILES
CC(C)N1C2=C(CCN(C2)C(=O)OC(C)(C)C)C(=N1)CO
InChI
InChI=1S/C15H25N3O3/c1-10(2)18-13-8-17(14(20)21-15(3,4)5)7-6-11(13)12(9-19)16-18/h10,19H,6-9H2,1-5H3
InChIKey
SLTDSGKMXDLABH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.88
TPSA
67.59

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
0.8
Consensus LogP
1.68
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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