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CAS 344298-81-3 3-METHYLBUTYRIC-D9 ACID molecular structure lightbox
CAS RN: 344298-81-3

3-METHYLBUTYRIC-D9 ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 50mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-140871
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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 344298-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

344298-81-3 / 3-methylbutanoic acid

Standard CAS: 344298-81-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
344298-81-3
Multi CAS
Yes
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
InChIKey
GWYFCOCPABKNJV-CBZKUFJVSA-N

Physical Properties

Melting Point
-29.3 °C
Boiling Point
176.5 °C @ 760 MM HG 175.00 to 177.00 °C. @ 760.00 mm Hg
Density
0.931 @ 20 °C/4 °C 0.923-0.928
Physical Description
Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue. Liquid Liquid with a disagreeable odor like rancid cheese; [Merck Index] Clear colorless liquid with a disagreeable odor; [CHEMINFO] colourless to pale yellow liquid with a disagreeable, rancid, cheese-like odour
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.09
TPSA
37.3

LogP / Solubility

WLOGP
1.12
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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