CAS RN: 20478-70-0
DECANOICACIDHYDRAZIDE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS20478-70-0
- Purity/Analytical Methods: >99.0%
20478-70-0 / decanehydrazide
Basic Information
CAS
20478-70-0
Multi CAS
No
Molecular Formula
C10H22N2O
Molecular Weight
186.290000
Exact Mass
186.173213
SMILES
CCCCCCCCCC(=O)NN
InChI
InChI=1S/C10H22N2O/c1-2-3-4-5-6-7-8-9-10(13)12-11/h2-9,11H2,1H3,(H,12,13)
InChIKey
ROGBVBLYGMXQRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.94
TPSA
55.12
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly 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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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