CAS RN: 40073-83-4
2-FUROIC-D3 ACID
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS40073-83-4
- Purity/Analytical Methods: >99.0%
40073-83-4 / 3,4,5-trideuteriofuran-2-carboxylic acid
Basic Information
CAS
40073-83-4
Multi CAS
Yes
Molecular Formula
C5H4O3
Molecular Weight
115.100000
Exact Mass
115.034874
InChI
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/i1D,2D,3D
InChIKey
SMNDYUVBFMFKNZ-CBYSEHNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.67
TPSA
50.44
LogP / Solubility
WLOGP
0.98
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-2.71
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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