CAS RN: 766539-34-8
(4-BENZYL-MORPHOLIN-2-YL)-ACETIC ACID METHYL ESTER
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.20260507 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS766539-34-8
- Purity/Analytical Methods: >99.0%
766539-34-8 / methyl 2-(4-benzylmorpholin-2-yl)acetate
Basic Information
CAS
766539-34-8
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
InChI
InChI=1S/C14H19NO3/c1-17-14(16)9-13-11-15(7-8-18-13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKey
HPLLEDNQVOZKFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
68.09
TPSA
38.77
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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