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CAS 38579-21-4 H-ILE-TYR-OH molecular structure lightbox
CAS RN: 38579-21-4

H-ILE-TYR-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS38579-21-4
  • Purity/Analytical Methods: >99.0%
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38579-21-4 / 2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Standard CAS: 38579-21-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
38579-21-4
Multi CAS
Yes
Molecular Formula
C15H22N2O4
Molecular Weight
294.350000
Exact Mass
294.157957
InChI
InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
InChIKey
MUFXDFWAJSPHIQ-XDTLVQLUSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
78.81
TPSA
112.65

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
-2.2
Consensus LogP
-0.18
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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