![CAS 720000-05-5 Carbamic acid, [2-(2R)-2-pyrrolidinylethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/720000-05-5.gif)
CAS RN: 720000-05-5
Carbamic acid, [2-(2R)-2-pyrrolidinylethyl]-, 1,1-dimethylethyl ester (9CI)
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.20250528 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS720000-05-5
- Purity/Analytical Methods: >99.0%
720000-05-5 / tert-butyl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
Basic Information
CAS
720000-05-5
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-6-9-5-4-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKey
UNANQGCDACTJPA-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.88
TPSA
50.36
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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