Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
613-94-5 / benzohydrazide
Basic Information
CAS
613-94-5
Multi CAS
Yes
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
WARCRYXKINZHGQ-UHFFFAOYSA-N
Physical Properties
Melting Point
115 °C
Boiling Point
267 °C (decomposes)
Physical Description
Solid; Soluble in water; [HSDB] White crystalline powder
Appearance
Plates from water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.1
TPSA
55.12
LogP / Solubility
WLOGP
0.29
MLOGP
0.25
XLogP3
0.2
Consensus LogP
0.25
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.34
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
