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CAS 57105-48-3 INDOLE-3-ACETYL-L-GLUTAMIC ACID (IAGlu) molecular structure lightbox
CAS RN: 57105-48-3

INDOLE-3-ACETYL-L-GLUTAMIC ACID (IAGlu)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57105-48-3
  • Purity/Analytical Methods: >99.0%
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57105-48-3 / (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioic acid

Standard CAS: 57105-48-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57105-48-3
Multi CAS
Yes
Molecular Formula
C15H16N2O5
Molecular Weight
304.300000
Exact Mass
304.105922
InChI
InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)/t12-/m0/s1
InChIKey
YRKLGWOHYXIKSF-LBPRGKRZSA-N

Physical Properties

Melting Point
162.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
4
Molar refractivity
78.44
TPSA
119.49

LogP / Solubility

WLOGP
1.14
MLOGP
1.02
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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