CAS RN: 120349-75-9
BOC-O-BENZYL-L-SERINOL
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.20250201 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS120349-75-9
- Purity/Analytical Methods: >99.0%
120349-75-9 / tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]carbamate
Boc-Serinol(Bzl) | tert-butyl N-(1-hydroxy-3-phenylmethoxypropan-2-yl)carbamate | BOC-O-BENZYL-D-SERINOL
Basic Information
CAS
120349-75-9
Multi CAS
Yes
Molecular Formula
C15H23NO4
Molecular Weight
281.350000
Exact Mass
281.162708
SMILES
CC(C)(C)OC(=O)N[C@H](CO)COCC1=CC=CC=C1
InChI
InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKey
MSIDLARYVJJEQY-CYBMUJFWSA-N
Synonyms
Boc-Serinol(Bzl)
tert-butyl N-(1-hydroxy-3-phenylmethoxypropan-2-yl)carbamate
BOC-O-BENZYL-D-SERINOL
TERT-BUTYL N-[1-(BENZYLOXY)-3-HYDROXYPROPAN-2-YL]CARBAMATE
2-(Boc-amino)-3-benzyloxy-1-propanol
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.34
TPSA
67.79
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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