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CAS 19500-00-6 5-BENZYLOXY-6-METHYL INDOLE molecular structure lightbox
CAS RN: 19500-00-6

5-BENZYLOXY-6-METHYL INDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19500-00-6
  • Purity/Analytical Methods: >99.0%
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19500-00-6 / 6-methyl-5-phenylmethoxy-1H-indole

Standard CAS: 19500-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19500-00-6
Multi CAS
No
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
SMILES
CC1=CC2=C(C=CN2)C=C1OCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c1-12-9-15-14(7-8-17-15)10-16(12)18-11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChIKey
OQQATFQWJJNYMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.81
TPSA
25.02

LogP / Solubility

WLOGP
4.06
MLOGP
3.57
XLogP3
3.9
Consensus LogP
3.84
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

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

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