CAS RN: 54789-92-3
Tartaric acid dihydrazide
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS54789-92-3
- Purity/Analytical Methods: >99.0%
54789-92-3 / (2R,3R)-2,3-dihydroxybutanedihydrazide
Basic Information
CAS
54789-92-3
Multi CAS
Yes
Molecular Formula
C4H10N4O4
Molecular Weight
178.150000
Exact Mass
178.070205
InChI
InChI=1S/C4H10N4O4/c5-7-3(11)1(9)2(10)4(12)8-6/h1-2,9-10H,5-6H2,(H,7,11)(H,8,12)/t1-,2-/m1/s1
InChIKey
MDJZGXRFYKPSIM-JCYAYHJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
6
Molar refractivity
36.67
TPSA
150.7
LogP / Solubility
WLOGP
-4.31
MLOGP
-3.8
XLogP3
-3.9
Consensus LogP
-4
Log S (ESOL)
1.97
Class (ESOL)
Highly soluble
Log S (Ali)
2.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.4
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)
-6.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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