![CAS 1931962-94-5 Carbamic acid, N-(1S,4S,7S)-2-azabicyclo[2.2.1]hept-7-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1931962-94-5.gif)
CAS RN: 1931962-94-5
Carbamic acid, N-(1S,4S,7S)-2-azabicyclo[2.2.1]hept-7-yl-, 1,1-dimethylethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1931962-94-5
- Purity/Analytical Methods: >99.0%
1931962-94-5 / tert-butyl N-[(1S,4S,7S)-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
Basic Information
CAS
1931962-94-5
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H]1NC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-7-4-5-8(9)12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-,9-/m0/s1
InChIKey
LKMTYLUKCLIYBU-CIUDSAMLSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.67
TPSA
50.36
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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