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CAS 6266-66-6 2-INDOL-3-YL-4-OXO-4-PHENYLBUTANOIC ACID molecular structure lightbox
CAS RN: 6266-66-6

2-INDOL-3-YL-4-OXO-4-PHENYLBUTANOIC ACID

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 100mg Out of stock Inquiry
Batchno.20250310 25mg Out of stock Inquiry
Batchno.20250627 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260301 10mg / 50mg / 100mg Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS6266-66-6
  • Purity/Analytical Methods: >99.0%
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6266-66-6 / 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid

Standard CAS: 6266-66-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6266-66-6
Multi CAS
Yes
Molecular Formula
C18H15NO3
Molecular Weight
293.300000
Exact Mass
293.105193
InChI
InChI=1S/C18H15NO3/c20-17(12-6-2-1-3-7-12)10-14(18(21)22)15-11-19-16-9-5-4-8-13(15)16/h1-9,11,14,19H,10H2,(H,21,22)
InChIKey
SJVMWLJNHPHNPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.07
TPSA
70.16

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
2.9
Consensus LogP
3.23
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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