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CAS 197525-99-8 TRAM 39 molecular structure lightbox
CAS RN: 197525-99-8

TRAM 39

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 100mg In stock Inquiry
Batchno.20250415 10mg In stock Inquiry
Batchno.20250605 25mg In stock Inquiry
Batchno.20251120 50mg In stock Inquiry
Batchno.20260530 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS197525-99-8
  • Purity/Analytical Methods: >99.0%
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197525-99-8 / 2-(2-chlorophenyl)-2,2-diphenylacetonitrile

Standard CAS: 197525-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197525-99-8
Multi CAS
No
Molecular Formula
C20H14ClN
Molecular Weight
303.800000
Exact Mass
303.081477
SMILES
C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H14ClN/c21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChIKey
JHNRTPKGSCVKKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
89.83
TPSA
23.79

LogP / Solubility

WLOGP
5.2
MLOGP
4.59
XLogP3
5.4
Consensus LogP
5.06
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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