CAS RN: 519031-87-9
tert-butyl 4-cyano-tetrahydro-2H-pyran-4-ylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250111 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS519031-87-9
- Purity/Analytical Methods: >99.0%
519031-87-9 / tert-butyl N-(4-cyanooxan-4-yl)carbamate
Basic Information
CAS
519031-87-9
Multi CAS
No
Molecular Formula
C11H18N2O3
Molecular Weight
226.270000
Exact Mass
226.131742
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-11(8-12)4-6-15-7-5-11/h4-7H2,1-3H3,(H,13,14)
InChIKey
GFMHNORFBIULNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.77
TPSA
71.35
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
0.9
Consensus LogP
1.29
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.98
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
-
![CAS 519032-08-7 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
- CAS RN: 519032-08-7
- Product Code: SSC-158937
-
1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(1-Methylethyl)-, (2S,6S)-
- CAS RN: 519038-82-5
- Product Code: starshine_CAS519038-82-5
- Purity/Analytical method: >99.0%
-
2-(DIHYDROXYBORYL)-3-THIOPHENECARBOXYLIC ACID
- CAS RN: 519054-53-6
- Product Code: SSC-158942
-
4-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
- CAS RN: 519054-54-7
- Product Code: SSC-158943
-
-
![CAS 519032-08-7 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/519032-08-7.gif)
![CAS 519038-82-5 1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(1-Methylethyl)-, (2S,6S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/519038-82-5.gif)
