CAS RN: 1823266-78-9
4-(4-Benzylmorpholin-2-Yl)Pyrimidine-5-Carboxylic 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.20251129 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823266-78-9
- Purity/Analytical Methods: >99.0%
1823266-78-9 / 4-(4-benzylmorpholin-2-yl)pyrimidine-5-carboxylic acid
Basic Information
CAS
1823266-78-9
Multi CAS
No
Molecular Formula
C16H17N3O3
Molecular Weight
299.320000
Exact Mass
299.126991
SMILES
C1COC(CN1CC2=CC=CC=C2)C3=NC=NC=C3C(=O)O
InChI
InChI=1S/C16H17N3O3/c20-16(21)13-8-17-11-18-15(13)14-10-19(6-7-22-14)9-12-4-2-1-3-5-12/h1-5,8,11,14H,6-7,9-10H2,(H,20,21)
InChIKey
JYOQCODVRRQKBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.4
TPSA
75.55
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
-1.5
Consensus LogP
0.6
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
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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