Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: tech. 90%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | tech. 90% | 0 Out of Stock | Shanghai | Inquiry |
136-64-1 / benzene-1,4-dicarbohydrazide
Basic Information
CAS
136-64-1
Multi CAS
No
Molecular Formula
C8H10N4O2
Molecular Weight
194.190000
Exact Mass
194.080376
SMILES
C1=CC(=CC=C1C(=O)NN)C(=O)NN
InChI
InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)
InChIKey
ALHNLFMSAXZKRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
49.75
TPSA
110.24
LogP / Solubility
WLOGP
-1.11
MLOGP
-0.97
XLogP3
-0.9
Consensus LogP
-0.99
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very 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)
-4.69
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 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
