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CAS 57469-82-6 L-Arginine, α-Methyl-4-(2-Methylpropyl)benzeneacetate molecular structure lightbox
CAS RN: 57469-82-6

L-Arginine, α-Methyl-4-(2-Methylpropyl)benzeneacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250829 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57469-82-6
  • Purity/Analytical Methods: >99.0%
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57469-82-6 / (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid

Standard CAS: 57469-82-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57469-82-6
Multi CAS
Yes
Molecular Formula
C19H32N4O4
Molecular Weight
380.500000
Exact Mass
380.242356
InChI
InChI=1S/C13H18O2.C6H14N4O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
InChIKey
GCCOJNYCFNSJII-VWMHFEHESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
5
Molar refractivity
106.56
TPSA
165.02

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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