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CAS 86540-81-0 (2R,3R)-2-hydroxy-3-methylpentanoic acid molecular structure lightbox
CAS RN: 86540-81-0

(2R,3R)-2-hydroxy-3-methylpentanoic acid

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6 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251123 100mg In stock Inquiry
Batchno.20250219 10mg Out of stock Inquiry
Batchno.20250523 500mg Out of stock Inquiry
Batchno.20260303 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 50mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS86540-81-0
  • Purity/Analytical Methods: >99.0%
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86540-81-0 / 2-hydroxy-3-methylpentanoic acid

Standard CAS: 86540-81-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86540-81-0
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
RILPIWOPNGRASR-RFZPGFLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.1
TPSA
57.53

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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