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CAS 2436-15-9 5-Benzyloxyindole-3-acetonitrile molecular structure lightbox
CAS RN: 2436-15-9

5-Benzyloxyindole-3-acetonitrile

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 1g In stock Inquiry
Batchno.20250225 25g In stock Inquiry
Batchno.20250212 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2436-15-9
  • Purity/Analytical Methods: >99.0%
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2436-15-9 / 2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile

Standard CAS: 2436-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2436-15-9
Multi CAS
No
Molecular Formula
C17H14N2O
Molecular Weight
262.300000
Exact Mass
262.110613
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC#N
InChI
InChI=1S/C17H14N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2
InChIKey
ADPRFNVFBYHCJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.39
TPSA
48.81

LogP / Solubility

WLOGP
3.81
MLOGP
3.36
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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