CAS RN: 2632340-48-6
1,3-Benzenediamine, 2-methyl-N1,N3-bis(2-methylphenyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-123710
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: 0.1g, 0.25g, 5g, 1g
- Available purity: ≥95%
- 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.
2632340-48-6 / 2-methyl-1-N,3-N-bis(2-methylphenyl)benzene-1,3-diamine
Basic Information
CAS
2632340-48-6
Multi CAS
No
Molecular Formula
C21H22N2
Molecular Weight
302.400000
Exact Mass
302.178299
InChI
InChI=1S/C21H22N2/c1-15-9-4-6-11-18(15)22-20-13-8-14-21(17(20)3)23-19-12-7-5-10-16(19)2/h4-14,22-23H,1-3H3
InChIKey
UCHCBUSHBBJQLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
100.1
TPSA
24.06
LogP / Solubility
WLOGP
6.1
MLOGP
5.38
XLogP3
6.1
Consensus LogP
5.86
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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