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CAS 10183-74-1 3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole molecular structure lightbox
CAS RN: 10183-74-1

3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10183-74-1
  • Purity/Analytical Methods: >99.0%
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10183-74-1 / 3-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

Withasomnine | 3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole | DTXSID00331987

Standard CAS: 10183-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10183-74-1
Multi CAS
No
Molecular Formula
C12H12N2
Molecular Weight
184.240000
Exact Mass
184.100048
SMILES
C1CC2=C(C=NN2C1)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-13-14-8-4-7-12(11)14/h1-3,5-6,9H,4,7-8H2
InChIKey
FOJCJLSJZFQCID-UHFFFAOYSA-N
Synonyms
Withasomnine 3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole DTXSID00331987 3-phenyl-5,6-dihydro-4H-pyrrolo(1,2-b)pyrazole RefChem:194934

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.98
TPSA
17.82

LogP / Solubility

WLOGP
2.5
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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