CAS RN: 15017-02-4
N,N’-bis(2-methylphenyl)benzene-1,4-diamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15017-02-4
- Purity/Analytical Methods: >99.0%
15017-02-4 / 1-N,4-N-bis(2-methylphenyl)benzene-1,4-diamine
Basic Information
CAS
15017-02-4
Multi CAS
No
Molecular Formula
C20H20N2
Molecular Weight
288.400000
Exact Mass
288.162649
SMILES
CC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3C
InChI
InChI=1S/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3
InChIKey
MDZBMZIJIUEQJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.37
TPSA
24.06
LogP / Solubility
WLOGP
5.79
MLOGP
5.11
XLogP3
5.7
Consensus LogP
5.53
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
