CAS RN: 639792-18-0
2-AMino-2-(2-Methoxyphenyl)acetonitrile hydrochloride
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.20260508 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS639792-18-0
- Purity/Analytical Methods: >99.0%
639792-18-0 / 2-amino-2-(2-methoxyphenyl)acetonitrile;hydrochloride
Basic Information
CAS
639792-18-0
Multi CAS
No
Molecular Formula
C9H11CLN2O
Molecular Weight
198.650000
Exact Mass
198.055991
InChI
InChI=1S/C9H10N2O.ClH/c1-12-9-5-3-2-4-7(9)8(11)6-10;/h2-5,8H,11H2,1H3;1H
InChIKey
YNZQFBSMMIZNIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.78
TPSA
59.04
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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