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CAS 92818-37-6 5-BENZYLOXY-INDOLINE HCL molecular structure lightbox
CAS RN: 92818-37-6

5-BENZYLOXY-INDOLINE HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS92818-37-6
  • Purity/Analytical Methods: >99.0%
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92818-37-6 / 5-phenylmethoxy-2,3-dihydro-1H-indole;hydrochloride

Standard CAS: 92818-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92818-37-6
Multi CAS
No
Molecular Formula
C15H16CLNO
Molecular Weight
261.740000
Exact Mass
261.092042
InChI
InChI=1S/C15H15NO.ClH/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15;/h1-7,10,16H,8-9,11H2;1H
InChIKey
GUBPTARUKOOTCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.66
TPSA
21.26

LogP / Solubility

WLOGP
3.66
MLOGP
3.22
XLogP3
3.66
Consensus LogP
3.51
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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