CAS RN: 97070-73-0
(R)-(+)-4-METHOXYMANDELONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS97070-73-0
- Purity/Analytical Methods: >99.0%
97070-73-0 / 2-hydroxy-2-(4-methoxyphenyl)acetonitrile
Basic Information
CAS
97070-73-0
Multi CAS
Yes
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
InChI
InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3/t9-/m0/s1
InChIKey
WLDAAMXETLHTER-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.57
TPSA
53.25
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.83
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
2
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