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CAS 56009-31-5 3-Hydroxyvaleric acid methyl ester molecular structure lightbox
CAS RN: 56009-31-5

3-Hydroxyvaleric acid methyl ester

  • Product code: SSC-163989
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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 56009-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

56009-31-5 / methyl 3-hydroxypentanoate

Standard CAS: 56009-31-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56009-31-5
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3
InChIKey
XHFXKKFVUDJSPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.93
TPSA
46.53

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.3

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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