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CAS 352534-93-1 BIS-TRIS-D19 molecular structure lightbox
CAS RN: 352534-93-1

BIS-TRIS-D19

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS352534-93-1
  • Purity/Analytical Methods: >99.0%
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352534-93-1 / 1,1,3,3-tetradeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]-N,N-bis(1,1,2,2-tetradeuterio-2-deuteriooxyethyl)propan-2-amine

Standard CAS: 352534-93-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352534-93-1
Multi CAS
Yes
Molecular Formula
C8H19NO5
Molecular Weight
228.360000
Exact Mass
228.245581
InChI
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,10D,11D,12D,13D,14D
InChIKey
OWMVSZAMULFTJU-ZMHMTVDGSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
5
Molar refractivity
49.73
TPSA
104.39

LogP / Solubility

WLOGP
-3.01
MLOGP
-2.65
XLogP3
-3.3
Consensus LogP
-2.99
Log S (ESOL)
1.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.9
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.52
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.13

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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