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CAS 112529-90-5 Methyl (2R)-2-hydroxy-4-methylpentanoate molecular structure lightbox
CAS RN: 112529-90-5

Methyl (2R)-2-hydroxy-4-methylpentanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012914
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112529-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

112529-90-5 / methyl (2R)-2-hydroxy-4-methylpentanoate

Methyl 2-hydroxy-4-methylpentanoate | Methyl 2-hydroxy-4-methylvalerate | Methyl 2-hydroxyisocaproate

Standard CAS: 112529-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112529-90-5
Multi CAS
Yes
Molecular Formula
C7H14O3
Molecular Weight
146.180000
Exact Mass
146.094294
SMILES
CC(C)C[C@H](C(=O)OC)O
InChI
InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChIKey
JOSNYUDSMPILKL-ZCFIWIBFSA-N
Synonyms
Methyl 2-hydroxy-4-methylpentanoate Methyl 2-hydroxy-4-methylvalerate Methyl 2-hydroxyisocaproate Valeric acid, 2-hydroxy-4-methyl-, methyl ester Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.48
TPSA
46.53

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
1.2
Consensus LogP
0.75
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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