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CAS 27508-85-6 5,7-DIMETHOXY INDOLE molecular structure lightbox
CAS RN: 27508-85-6

5,7-DIMETHOXY INDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27508-85-6
  • Purity/Analytical Methods: >99.0%
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27508-85-6 / 5,7-dimethoxy-1H-indole

Standard CAS: 27508-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27508-85-6
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
COC1=CC(=C2C(=C1)C=CN2)OC
InChI
InChI=1S/C10H11NO2/c1-12-8-5-7-3-4-11-10(7)9(6-8)13-2/h3-6,11H,1-2H3
InChIKey
ACIZYTYDGVHTIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.4
TPSA
34.25

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.25

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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