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CAS 19214-96-1 2-PROPANOLE-D7 molecular structure lightbox
CAS RN: 19214-96-1

2-PROPANOLE-D7

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260127 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS19214-96-1
  • Purity/Analytical Methods: >99.0%
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19214-96-1 / 1,1,1,2,3,3,3-heptadeuteriopropan-2-ol

Standard CAS: 19214-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19214-96-1
Multi CAS
No
Molecular Formula
C3H8O
Molecular Weight
67.140000
Exact Mass
67.101452
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D
InChIKey
KFZMGEQAYNKOFK-YYWVXINBSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.35
TPSA
20.23

LogP / Solubility

WLOGP
0.39
MLOGP
0.32
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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