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CAS 1629037-78-0 4-(benzyloxy)-1H-pyrazolo[4,3-c]pyridin-3-aMine molecular structure lightbox
CAS RN: 1629037-78-0

4-(benzyloxy)-1H-pyrazolo[4,3-c]pyridin-3-aMine

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg Out of stock Inquiry
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Batchno.20250318 50mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1629037-78-0
  • Purity/Analytical Methods: >99.0%
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1629037-78-0 / 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

Standard CAS: 1629037-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1629037-78-0
Multi CAS
No
Molecular Formula
C13H12N4O
Molecular Weight
240.260000
Exact Mass
240.101111
SMILES
C1=CC=C(C=C1)COC2=NC=CC3=C2C(=NN3)N
InChI
InChI=1S/C13H12N4O/c14-12-11-10(16-17-12)6-7-15-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,16,17)
InChIKey
XAOCPULRMFPHEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.08
TPSA
76.82

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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