CAS RN: 1007877-79-3
(2R)-4-Morpholinyl(phenyl)acetic acid
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.20251217 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINR928938
1007877-79-3 / (2R)-2-morpholin-4-yl-2-phenylacetic acid
(R)-2-morpholino-2-phenylacetic acid | (2R)-2-(morpholin-4-yl)-2-phenylacetic acid | SCHEMBL627906
Basic Information
CAS
1007877-79-3
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
C1COCCN1[C@H](C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)11(10-4-2-1-3-5-10)13-6-8-16-9-7-13/h1-5,11H,6-9H2,(H,14,15)/t11-/m1/s1
InChIKey
OZJNQHRPTQSJDF-LLVKDONJSA-N
Synonyms
(R)-2-morpholino-2-phenylacetic acid
(2R)-2-(morpholin-4-yl)-2-phenylacetic acid
SCHEMBL627906
OZJNQHRPTQSJDF-LLVKDONJSA-N
(R)-2-morpholino-2-phenylaceticacid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.21
TPSA
49.77
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
-1.1
Consensus LogP
0.35
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.26
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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