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CAS 308817-68-7 Carbamic acid, (3-methyl-2-oxo-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 308817-68-7

Carbamic acid, (3-methyl-2-oxo-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS308817-68-7
  • Purity/Analytical Methods: >99.0%
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308817-68-7 / tert-butyl N-(3-methyl-2-oxopyrrolidin-3-yl)carbamate

Standard CAS: 308817-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
308817-68-7
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
InChI
InChI=1S/C10H18N2O3/c1-9(2,3)15-8(14)12-10(4)5-6-11-7(10)13/h5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKey
LYBRTARFAQKQLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.4
TPSA
67.43

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.47

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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