CAS RN: 350820-01-8
4-AMINOBENZOIC-2, 3, 5, 6-D4 ACID
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 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS350820-01-8
- Purity/Analytical Methods: >99.0%
350820-01-8 / 4-amino-2,3,5,6-tetradeuteriobenzoic acid
Basic Information
CAS
350820-01-8
Multi CAS
Yes
Molecular Formula
C7H7NO2
Molecular Weight
141.160000
Exact Mass
141.072785
InChI
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/i1D,2D,3D,4D
InChIKey
ALYNCZNDIQEVRV-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.81
TPSA
63.32
LogP / Solubility
WLOGP
0.97
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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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