CAS RN: 215527-72-3
4-AMINOBIPHENYL-2′,3′,4′,5′,6′-D5
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.20260227 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS215527-72-3
- Purity/Analytical Methods: >99.0%
215527-72-3 / 4-(2,3,4,5,6-pentadeuteriophenyl)aniline
Basic Information
CAS
215527-72-3
Multi CAS
No
Molecular Formula
C12H11N
Molecular Weight
174.250000
Exact Mass
174.120533
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC=C(C=C2)N)[2H])[2H]
InChI
InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2/i1D,2D,3D,4D,5D
InChIKey
DMVOXQPQNTYEKQ-RALIUCGRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.29
TPSA
26.02
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
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
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![CAS 215531-00-3 6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-ACETIC ACID, METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215531-00-3.gif)
