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CAS 34193-38-9 1-BUTANOL-D10 molecular structure lightbox
CAS RN: 34193-38-9

1-BUTANOL-D10

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34193-38-9
  • Purity/Analytical Methods: >99.0%
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34193-38-9 / 1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane

Standard CAS: 34193-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34193-38-9
Multi CAS
No
Molecular Formula
C4H10O
Molecular Weight
84.180000
Exact Mass
84.135932
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D
InChIKey
LRHPLDYGYMQRHN-NWURLDAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.99
TPSA
20.23

LogP / Solubility

WLOGP
0.78
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-2.62

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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