CAS RN: 179811-50-8
methyl 2-Amino-2-(4-biphenylyl)acetate 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.20251215 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS179811-50-8
- Purity/Analytical Methods: >99.0%
179811-50-8 / methyl 2-amino-2-(4-phenylphenyl)acetate;hydrochloride
Basic Information
CAS
179811-50-8
Multi CAS
No
Molecular Formula
C15H16ClNO2
Molecular Weight
277.740000
Exact Mass
277.086956
SMILES
COC(=O)C(C1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C15H15NO2.ClH/c1-18-15(17)14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10,14H,16H2,1H3;1H
InChIKey
BCBLYFLMCWOAGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.07
TPSA
52.32
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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