CAS RN: 14762-74-4

CARBON-13C

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  • Product code: starshine_CAS14762-74-4
  • Purity/Analytical Methods: >99.0%
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14762-74-4 / carbane

Standard CAS: 14762-74-4 Multi CAS: No

Basic Information

CAS
14762-74-4
Multi CAS
No
Molecular Formula
C
Molecular Weight
13.003355
Exact Mass
13.003355
SMILES
[13CH4]
InChI
InChI=1S/CH4/h1H4/i1+1
InChIKey
VNWKTOKETHGBQD-OUBTZVSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
1
Fraction Csp3
1
Molar refractivity
6.73
TPSA
0.0000

LogP / Solubility

WLOGP
0.64
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very 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)
-2.37

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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