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CAS 1257856-31-7 (S)-N-Boc-2-cyanomorpholine molecular structure lightbox
CAS RN: 1257856-31-7

(S)-N-Boc-2-cyanomorpholine

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Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 100mg In stock Shenzhen Inquiry
Batchno.20250722 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251221 1g In stock Tianjin Inquiry
Batchno.20250726 250mg In stock Shanghai Inquiry
Batchno.20251222 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS1257856-31-7
  • Purity/Analytical Methods: >99.0%
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1257856-31-7 / tert-butyl (2S)-2-cyanomorpholine-4-carboxylate

Standard CAS: 1257856-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257856-31-7
Multi CAS
No
Molecular Formula
C10H16N2O3
Molecular Weight
212.250000
Exact Mass
212.116092
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)C#N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKey
GZZBGWUQUIKDNN-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.16
TPSA
62.56

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
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)
-3.2

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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