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CAS 383132-41-0 5-METHOXY-7-METHYLINDOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 383132-41-0

5-METHOXY-7-METHYLINDOLE-2-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS383132-41-0
  • Purity/Analytical Methods: >99.0%
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383132-41-0 / 5-methoxy-7-methyl-1H-indole-2-carboxylic acid

Standard CAS: 383132-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
383132-41-0
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c1-6-3-8(15-2)4-7-5-9(11(13)14)12-10(6)7/h3-5,12H,1-2H3,(H,13,14)
InChIKey
JIQFMKOUAVIMCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.55
TPSA
62.32

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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