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, 5g, 10g, 25g, 100g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 1 In Stock | Shanghai | Inquiry |
| 25g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
3010-47-7 / 4-[(2-chlorophenyl)diazenyl]-N,N-dimethylaniline
Basic Information
CAS
3010-47-7
Multi CAS
Yes
Molecular Formula
C14H14CLN3
Molecular Weight
259.730000
Exact Mass
259.087625
InChI
InChI=1S/C14H14ClN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3
InChIKey
AXTUMSFTJSYZOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
76.4
TPSA
27.96
LogP / Solubility
WLOGP
4.82
MLOGP
4.25
XLogP3
4.3
Consensus LogP
4.46
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
