CAS RN: 32479-98-4
METHANOL-13C-D4
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS32479-98-4
- Purity/Analytical Methods: >99.0%
32479-98-4 / trideuterio(deuteriooxy)(113C)methane
Basic Information
CAS
32479-98-4
Multi CAS
Yes
Molecular Formula
CH4O
Molecular Weight
37.059000
Exact Mass
37.054677
InChI
InChI=1S/CH4O/c1-2/h2H,1H3/i1+1D3,2D
InChIKey
OKKJLVBELUTLKV-YFICBCNASA-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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