CAS RN: 848853-75-8
4-(4-BOC-aminophenyl)phenol
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.20250210 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS848853-75-8
- Purity/Analytical Methods: >99.0%
848853-75-8 / tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
Basic Information
CAS
848853-75-8
Multi CAS
Yes
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
InChI
InChI=1S/C17H19NO3/c1-17(2,3)21-16(20)18-14-8-4-12(5-9-14)13-6-10-15(19)11-7-13/h4-11,19H,1-3H3,(H,18,20)
InChIKey
IJZZTPIOYKYBOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.4
TPSA
58.56
LogP / Solubility
WLOGP
4.41
MLOGP
3.89
XLogP3
3.8
Consensus LogP
4.03
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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