![CAS 203321-83-9 tert-butyl [6-(hydroxymethyl)pyridin-2-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB81076721.gif)
CAS RN: 203321-83-9
tert-butyl [6-(hydroxymethyl)pyridin-2-yl]carbamate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250727 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-095739
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >96%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
203321-83-9 / tert-butyl N-[6-(hydroxymethyl)-2-pyridinyl]carbamate
Basic Information
CAS
203321-83-9
Multi CAS
No
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=N1)CO
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-6-4-5-8(7-14)12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChIKey
RCLIUAJKGDHJMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.02
TPSA
71.45
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
0.9
Consensus LogP
1.5
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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