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CAS 762233-62-5 Pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro-1-methyl- (9CI) molecular structure lightbox
CAS RN: 762233-62-5

Pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro-1-methyl- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS762233-62-5
  • Purity/Analytical Methods: >99.0%
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762233-62-5 / 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

Standard CAS: 762233-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
762233-62-5
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
InChI
InChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3
InChIKey
ZPRTZMMXOLTYSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.75
TPSA
29.85

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
-0.8
Consensus LogP
-0.26
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-3.45

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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