CAS RN: 441717-93-7
3(R)-HYDROXYMETHYL-4-BENZYLMORPHOLINE
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.20250425 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS441717-93-7
- Purity/Analytical Methods: >99.0%
441717-93-7 / benzyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate
Basic Information
CAS
441717-93-7
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c15-8-12-10-17-7-6-14(12)13(16)18-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m1/s1
InChIKey
FDIAPFRJARUCGP-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.03
TPSA
59
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
0.6
Consensus LogP
0.84
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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