CAS RN: 1284227-86-6
Benzenamine, 2,3-dichloro-N,N-diphenyl-
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.20250108 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1284227-86-6
- Purity/Analytical Methods: >99.0%
1284227-86-6 / 2,3-dichloro-N,N-diphenylaniline
Basic Information
CAS
1284227-86-6
Multi CAS
No
Molecular Formula
C18H13Cl2N
Molecular Weight
314.200000
Exact Mass
313.042505
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N/c19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKey
HPOIRFBQDDFCQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
91.15
TPSA
3.24
LogP / Solubility
WLOGP
6.46
MLOGP
5.7
XLogP3
6.4
Consensus LogP
6.19
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
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)
-0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
tert-Butyl 4-(4-fluorophenyl)-3-oxopiperazine-1-carboxylate
- CAS RN: 1284243-44-2
- Product Code: starshine_CAS1284243-44-2
- Purity/Analytical method: >99.0%
-
-
3,3-dimethylcyclobutan-1-amine hydrochloride
- CAS RN: 1284247-23-9
- Product Code: SSC-035708
-
-
-
trans-3-AMino-cyclobutaneMethanol hydrochloride
- CAS RN: 1284250-10-7
- Product Code: SSC-035712
