CAS RN: 749179-13-3
CS-722 Free base
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS749179-13-3
- Purity/Analytical Methods: >99.0%
749179-13-3 / 4-chloro-2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-5-phenyl-1,2-oxazol-3-one
Basic Information
CAS
749179-13-3
Multi CAS
Yes
Molecular Formula
C16H19CLN2O4
Molecular Weight
338.780000
Exact Mass
338.103335
InChI
InChI=1S/C16H19ClN2O4/c17-14-15(12-4-2-1-3-5-12)23-19(16(14)21)11-13(20)10-18-6-8-22-9-7-18/h1-5,13,20H,6-11H2/t13-/m1/s1
InChIKey
NINUODAOHUBAAQ-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.68
TPSA
67.84
LogP / Solubility
WLOGP
1.45
MLOGP
1.3
XLogP3
1.4
Consensus LogP
1.38
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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