CAS RN: 501692-32-6
R-4-Hydroxyphenylglycine tert. Butyl ester
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.20250721 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS501692-32-6
- Purity/Analytical Methods: >99.0%
501692-32-6 / tert-butyl 2-amino-2-(4-hydroxyphenyl)acetate
Basic Information
CAS
501692-32-6
Multi CAS
Yes
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)10(13)8-4-6-9(14)7-5-8/h4-7,10,14H,13H2,1-3H3/t10-/m1/s1
InChIKey
CJPJHVFZFGDVBV-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.88
TPSA
72.55
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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