CAS RN: 1062134-50-2
N-(5-amino-4-methyl-2-pyridinyl)-carbamic acid 1,1-dimethylethyl 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.20250804 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1062134-50-2
- Purity/Analytical Methods: >99.0%
1062134-50-2 / tert-butyl N-(5-amino-4-methyl-2-pyridinyl)carbamate
tert-Butyl (5-amino-4-methylpyridin-2-yl)carbamate | MFCD09751994 | tert-butyl N-(5-amino-4-methylpyridin-2-yl)carbamate
Basic Information
CAS
1062134-50-2
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
SMILES
CC1=CC(=NC=C1N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H17N3O2/c1-7-5-9(13-6-8(7)12)14-10(15)16-11(2,3)4/h5-6H,12H2,1-4H3,(H,13,14,15)
InChIKey
KZPTUBJMWUZJEF-UHFFFAOYSA-N
Synonyms
tert-Butyl (5-amino-4-methylpyridin-2-yl)carbamate
MFCD09751994
tert-butyl N-(5-amino-4-methylpyridin-2-yl)carbamate
SCHEMBL26125387
SCHEMBL30298062
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.24
TPSA
77.24
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
1.4
Consensus LogP
1.92
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
ZIF-90
- CAS RN: 1062147-37-8
- Product Code: starshine_CAS1062147-37-8
- Purity/Analytical method: >99.0%
-
Isa-NHC
- CAS RN: 1062158-63-7
- Product Code: starshine_CAS1062158-63-7
- Purity/Analytical method: >99.0%
-
WAY-600
- CAS RN: 1062159-35-6
- Product Code: starshine_CAS1062159-35-6
- Purity/Analytical method: >99.0%
-
WYE-687
- CAS RN: 1062161-90-3
- Product Code: starshine_CAS1062161-90-3
- Purity/Analytical method: >99.0%
-
WYE-354
- CAS RN: 1062169-56-5
- Product Code: starshine_CAS1062169-56-5
- Purity/Analytical method: >99.0%
-
Compound 28
- CAS RN: 1062172-60-4
- Product Code: starshine_CAS1062172-60-4
- Purity/Analytical method: >99.0%
