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CAS 102867-56-1 2-(2-HYDROXYETHOXY) ETHANOL-D8 molecular structure lightbox
CAS RN: 102867-56-1

2-(2-HYDROXYETHOXY) ETHANOL-D8

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Batchno.20260307 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS102867-56-1
  • Purity/Analytical Methods: >99.0%
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102867-56-1 / 1,1,2,2-tetradeuterio-2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethanol

Di(ethylene-d8 glycol) | RefChem:585947 | 686-048-9

Standard CAS: 102867-56-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102867-56-1
Multi CAS
Yes
Molecular Formula
C4H10O3
Molecular Weight
114.170000
Exact Mass
114.113208
SMILES
[2H]C([2H])(C([2H])([2H])OC([2H])([2H])C([2H])([2H])O)O
InChI
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
MTHSVFCYNBDYFN-SVYQBANQSA-N
Synonyms
Di(ethylene-d8 glycol) RefChem:585947 686-048-9 Diethylene Glycol-d8 2-(2-Hydroxyethoxy) ethanol-d8

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
24.99
TPSA
49.69

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.9
XLogP3
-1.3
Consensus LogP
-1.07
Log S (ESOL)
0.4
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.01
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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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