CAS RN: 1508-67-4
GLUTARIC DIHYDRAZIDE
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS1508-67-4
- Purity/Analytical Methods: >99.0%
1508-67-4 / pentanedihydrazide
Basic Information
CAS
1508-67-4
Multi CAS
No
Molecular Formula
C5H12N4O2
Molecular Weight
160.170000
Exact Mass
160.096026
SMILES
C(CC(=O)NN)CC(=O)NN
InChI
InChI=1S/C5H12N4O2/c6-8-4(10)2-1-3-5(11)9-7/h1-3,6-7H2,(H,8,10)(H,9,11)
InChIKey
LGYJSPMYALQHBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
38.51
TPSA
110.24
LogP / Solubility
WLOGP
-1.86
MLOGP
-1.64
XLogP3
-2.4
Consensus LogP
-1.97
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
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)
-5.02
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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