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CAS 1235469-35-8 Benzyl (2r,5r)-2,5-dimethylmorpholine-4-carboxylate molecular structure lightbox
CAS RN: 1235469-35-8

Benzyl (2r,5r)-2,5-dimethylmorpholine-4-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1235469-35-8
  • Purity/Analytical Methods: >99.0%
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1235469-35-8 / benzyl (2R,5R)-2,5-dimethylmorpholine-4-carboxylate

Standard CAS: 1235469-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235469-35-8
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C[C@@H]1CN([C@@H](CO1)C)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c1-11-9-17-12(2)8-15(11)14(16)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKey
WPYBUGPTAGJIKY-VXGBXAGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.21
TPSA
38.77

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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