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CAS 42537-99-5 H-ILE-ILE-OH molecular structure lightbox
CAS RN: 42537-99-5

H-ILE-ILE-OH

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251008 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250428 100mg In stock Shanghai Inquiry
Batchno.20250107 1g Out of stock 8-10 business days Inquiry
Batchno.20250415 1g In stock Shanghai Inquiry
Batchno.20250104 250mg In stock Shanghai Inquiry
Batchno.20250813 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS42537-99-5
  • Purity/Analytical Methods: >99.0%
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42537-99-5 / (2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoic acid

Standard CAS: 42537-99-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42537-99-5
Multi CAS
Yes
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
InChI
InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t7-,8-,9-,10-/m0/s1
InChIKey
BCVIOZZGJNOEQS-XKNYDFJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
66.45
TPSA
92.42

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
-1.8
Consensus LogP
0.01
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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