CAS RN: 5022-48-0
5-CHLORO-2-HYDROXY-BENZOIC ACID HYDRAZIDE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS5022-48-0
- Purity/Analytical Methods: >99.0%
5022-48-0 / 5-chloro-2-hydroxybenzohydrazide
Basic Information
CAS
5022-48-0
Multi CAS
No
Molecular Formula
C7H7CLN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
InChI
InChI=1S/C7H7ClN2O2/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
InChIKey
MIVLIGXZOGZELS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.77
TPSA
75.35
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
2.1
Consensus LogP
1.11
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.4
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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