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CAS 681851-25-2 (2R,3S)-2-Methyl-5-oxo-4-(phenylMethyl)-3-Morpholinecarboxylic acid molecular structure lightbox
CAS RN: 681851-25-2

(2R,3S)-2-Methyl-5-oxo-4-(phenylMethyl)-3-Morpholinecarboxylic acid

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 1g In stock Shanghai Inquiry
Batchno.20250705 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS681851-25-2
  • Purity/Analytical Methods: >99.0%
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681851-25-2 / 4-benzyl-2-methyl-5-oxomorpholine-3-carboxylic acid

Standard CAS: 681851-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
681851-25-2
Multi CAS
Yes
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
InChI
InChI=1S/C13H15NO4/c1-9-12(13(16)17)14(11(15)8-18-9)7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,16,17)
InChIKey
UWKSAFKXCAKKDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.83
TPSA
66.84

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.61

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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