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CAS 80156-55-4 1,2-PROPANEDIOL-D8 molecular structure lightbox
CAS RN: 80156-55-4

1,2-PROPANEDIOL-D8

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS80156-55-4
  • Purity/Analytical Methods: >99.0%
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80156-55-4 / 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane

Standard CAS: 80156-55-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80156-55-4
Multi CAS
Yes
Molecular Formula
C3H8O2
Molecular Weight
84.140000
Exact Mass
84.102643
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D
InChIKey
DNIAPMSPPWPWGF-INOGVRQUSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
18.77
TPSA
40.46

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.58
XLogP3
-0.9
Consensus LogP
-0.71
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.64

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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