[email protected]
CAS 1052210-00-0 (5R)-5-(phenylMethyl)-3-Morpholinone molecular structure lightbox
CAS RN: 1052210-00-0

(5R)-5-(phenylMethyl)-3-Morpholinone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1052210-00-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1052210-00-0 / (5R)-5-benzylmorpholin-3-one

5-Benzylmorpholin-3-one | MFCD22493497 | (5S)-5-Benzylmorpholin-3-one; (S)-3-(Phenylmethyl)morpholin-2-one

Standard CAS: 1052210-00-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1052210-00-0
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
C1[C@H](NC(=O)CO1)CC2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKey
PXPFDUZBGQDAEP-SNVBAGLBSA-N
Synonyms
5-Benzylmorpholin-3-one MFCD22493497 (5S)-5-Benzylmorpholin-3-one; (S)-3-(Phenylmethyl)morpholin-2-one 5-benzyl-3-morpholinone SCHEMBL2871342

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.9
TPSA
38.33

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
1.2
Consensus LogP
0.86
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us