CAS RN: 1187385-60-9
tert-Butyl methyl(3-methylpyridin-2-yl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260203 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS1187385-60-9
- Purity/Analytical Methods: >99.0%
1187385-60-9 / tert-butyl N-methyl-N-(3-methyl-2-pyridinyl)carbamate
tert-Butyl methyl(3-methylpyridin-2-yl)carbamate | 2-(N-BOC-N-methylamino)-3-picoline | MFCD12546498
Basic Information
CAS
1187385-60-9
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
SMILES
CC1=C(N=CC=C1)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H18N2O2/c1-9-7-6-8-13-10(9)14(5)11(15)16-12(2,3)4/h6-8H,1-5H3
InChIKey
BPUKNLSIBNNSDN-UHFFFAOYSA-N
Synonyms
tert-Butyl methyl(3-methylpyridin-2-yl)carbamate
2-(N-BOC-N-methylamino)-3-picoline
MFCD12546498
tert-butyl N-methyl-N-(3-methylpyridin-2-yl)carbamate
DTXSID90675160
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
63.61
TPSA
42.43
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.12
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
-
2-(5-Bromopyridin-3-yl)-5-phenyl-1,3,4-oxadiazole
- CAS RN: 1187385-63-2
- Product Code: starshine_CAS1187385-63-2
- Purity/Analytical method: >99.0%
-
-
-
2-Bromo-5-iodo-4-nitrobenzotrifluoride
- CAS RN: 1187385-82-5
- Product Code: starshine_CAS1187385-82-5
- Purity/Analytical method: >99.0%
-
-
5-Bromo-4-methyl-2-(1-pyrrolidinyl)pyridine
- CAS RN: 1187385-95-0
- Product Code: starshine_CAS1187385-95-0
- Purity/Analytical method: >99.0%
