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CAS 933688-67-6 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine molecular structure lightbox
CAS RN: 933688-67-6

5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS933688-67-6
  • Purity/Analytical Methods: >99.0%
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933688-67-6 / 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

Standard CAS: 933688-67-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
933688-67-6
Multi CAS
Yes
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
InChI
InChI=1S/C7H11N3/c1-3-8-6-7-2-4-9-10(7)5-1/h2,4,8H,1,3,5-6H2
InChIKey
WBYKOBVKGFBQMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.55
TPSA
29.85

LogP / Solubility

WLOGP
0.38
MLOGP
0.32
XLogP3
-0.3
Consensus LogP
0.13
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.29

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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