CAS RN: 3400-07-5
Cyclopentanecarbohydrazide
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS3400-07-5
- Purity/Analytical Methods: >99.0%
3400-07-5 / cyclopentanecarbohydrazide
Basic Information
CAS
3400-07-5
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
InChI
InChI=1S/C6H12N2O/c7-8-6(9)5-3-1-2-4-5/h5H,1-4,7H2,(H,8,9)
InChIKey
IXEIBWLTZYOBPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.29
TPSA
55.12
LogP / Solubility
WLOGP
0.17
MLOGP
0.14
XLogP3
0.3
Consensus LogP
0.2
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.38
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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