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CAS 383133-76-4 6-BUTOXY-1H-INDOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 383133-76-4

6-BUTOXY-1H-INDOLE-2-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS383133-76-4
  • Purity/Analytical Methods: >99.0%
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383133-76-4 / 6-butoxy-1H-indole-2-carboxylic acid

Standard CAS: 383133-76-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
383133-76-4
Multi CAS
Yes
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-2-3-6-17-10-5-4-9-7-12(13(15)16)14-11(9)8-10/h4-5,7-8,14H,2-3,6H2,1H3,(H,15,16)
InChIKey
CXDXQPSXSRFSQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.66
TPSA
62.32

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.5
Consensus LogP
3.07
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

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

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