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: 1g, 0.1g, 0.25g, 10g, 5g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 10g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Shanghai | Inquiry |
34662-24-3 / 2-chloro-3-nitrobenzonitrile
Basic Information
CAS
34662-24-3
Multi CAS
Yes
Molecular Formula
C7H3CLN2O2
Molecular Weight
182.560000
Exact Mass
181.988305
InChI
InChI=1S/C7H3ClN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H
InChIKey
AGZYMTWFJLEBIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.82
TPSA
66.93
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.33
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
