![CAS 346691-01-8 Carbamic acid, [(3R)-1-methyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/346691-01-8.gif)
CAS RN: 346691-01-8
Carbamic acid, [(3R)-1-methyl-3-pyrrolidinyl]-, 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.20250307 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS346691-01-8
- Purity/Analytical Methods: >99.0%
346691-01-8 / tert-butyl N-(1-methylpyrrolidin-3-yl)carbamate
Basic Information
CAS
346691-01-8
Multi CAS
Yes
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKey
ZAAYKTCDODPVPD-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.27
TPSA
41.57
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.08
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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