[email protected]
CAS 1820575-35-6 (S)-tert-Butyl 2-cyano-4-oxopiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1820575-35-6

(S)-tert-Butyl 2-cyano-4-oxopiperidine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1820575-35-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1820575-35-6 / tert-butyl (2S)-2-cyano-4-oxopiperidine-1-carboxylate

Standard CAS: 1820575-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820575-35-6
Multi CAS
No
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C#N
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)6-8(13)7-12/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey
HROHETMZFUKGJM-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.58
TPSA
70.4

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
0.4
Consensus LogP
1.06
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us