CAS RN: 811-98-3

Methanol-d4 99.8atom%D

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10 package records10 with current stock3 grade groups
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Batchno.20251003 0.6ml / 10X0.6ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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  • Product code: ICTM1869
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811-98-3 / trideuterio(deuteriooxy)methane

Standard CAS: 811-98-3 Multi CAS: Yes

Basic Information

CAS
811-98-3
Multi CAS
Yes
Molecular Formula
CH4O
Molecular Weight
36.066000
Exact Mass
36.051322
InChI
InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D
InChIKey
OKKJLVBELUTLKV-MZCSYVLQSA-N

Computed Properties

Structural Parameters

Heavy atom count
2
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.14
TPSA
20.23

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly 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)
-3.19

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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