CAS RN: 198470-63-2
BOC-D-TYR(BZL)-OL
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.20250130 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS198470-63-2
- Purity/Analytical Methods: >99.0%
198470-63-2 / tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
Basic Information
CAS
198470-63-2
Multi CAS
No
Molecular Formula
C21H27NO4
Molecular Weight
357.400000
Exact Mass
357.194008
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C21H27NO4/c1-21(2,3)26-20(24)22-18(14-23)13-16-9-11-19(12-10-16)25-15-17-7-5-4-6-8-17/h4-12,18,23H,13-15H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKey
FOMAWYQEBPYJJU-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
101.16
TPSA
67.79
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.7
Consensus LogP
3.55
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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