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CAS 302912-21-6 5-METHOXY-4-METHYLINDOLE molecular structure lightbox
CAS RN: 302912-21-6

5-METHOXY-4-METHYLINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS302912-21-6
  • Purity/Analytical Methods: >99.0%
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302912-21-6 / 5-methoxy-4-methyl-1H-indole

Standard CAS: 302912-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302912-21-6
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
InChI
InChI=1S/C10H11NO/c1-7-8-5-6-11-9(8)3-4-10(7)12-2/h3-6,11H,1-2H3
InChIKey
RISMXZVKSIWLMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.59
TPSA
25.02

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-1.94

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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