[email protected]
CAS 101250-44-6 (5S)-5-Methylpropyl-3-Morpholinone molecular structure lightbox
CAS RN: 101250-44-6

(5S)-5-Methylpropyl-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.20250224 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101250-44-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

101250-44-6 / (5S)-5-(2-methylpropyl)morpholin-3-one

(5S)-5-(2-methylpropyl)morpholin-3-one | RefChem:404466 | 973-142-2

Standard CAS: 101250-44-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101250-44-6
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CC(C)C[C@H]1COCC(=O)N1
InChI
InChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKey
DEWNYTYFDBHKCT-ZETCQYMHSA-N
Synonyms
(5S)-5-(2-methylpropyl)morpholin-3-one RefChem:404466 973-142-2 3-Morpholinone, 5-(2-methylpropyl)-, (5S)- SCHEMBL1004978

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.2
TPSA
38.33

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
1
Consensus LogP
0.68
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us