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CAS 19448-61-4 PROPIONIC ACID-D6 molecular structure lightbox
CAS RN: 19448-61-4

PROPIONIC ACID-D6

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19448-61-4
  • Purity/Analytical Methods: >99.0%
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19448-61-4 / deuterio 2,2,3,3,3-pentadeuteriopropanoate

Standard CAS: 19448-61-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19448-61-4
Multi CAS
No
Molecular Formula
C3H6O2
Molecular Weight
80.120000
Exact Mass
80.074440
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(=O)O[2H]
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2/hD
InChIKey
XBDQKXXYIPTUBI-WYMDYBCKSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.93
TPSA
37.3

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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