CAS RN: 1020718-93-7
3-AMINOBIPHENYL-D9
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.20250702 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1020718-93-7
- Purity/Analytical Methods: >99.0%
1020718-93-7 / 2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline
3-Aminobiphenyl-d9 | 2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline | [1,1'-Biphenyl-2,2',3',4,4',5,5',6,6'-d9]-3-amine
Basic Information
CAS
1020718-93-7
Multi CAS
Yes
Molecular Formula
C12H11N
Molecular Weight
178.280000
Exact Mass
178.145640
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])N)[2H])[2H])[2H]
InChI
InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
MUNOBADFTHUUFG-LOIXRAQWSA-N
Synonyms
3-Aminobiphenyl-d9
2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline
[1,1'-Biphenyl-2,2',3',4,4',5,5',6,6'-d9]-3-amine
m-Phenylaniline-d9
SCHEMBL30808031
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
3.3
Consensus LogP
2.94
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
Customers Also Viewed
-
5-AMINO-6-METHYLAMINO-D3-QUINOLINE
- CAS RN: 1020718-95-9
- Product Code: starshine_CAS1020718-95-9
- Purity/Analytical method: >99.0%
-
(R,S)-ANATABINE-2,4,5,6-D4
- CAS RN: 1020719-11-2
- Product Code: starshine_CAS1020719-11-2
- Purity/Analytical method: >99.0%
-
10,11-Dihydro-10-hydroxy Carbamazepine-D4 (Major)
- CAS RN: 1020719-39-4
- Product Code: starshine_CAS1020719-39-4
- Purity/Analytical method: >99.0%
-
-
(R,S)-N-NITROSOANABASINE-D4
- CAS RN: 1020719-68-9
- Product Code: starshine_CAS1020719-68-9
- Purity/Analytical method: >99.0%
-
