CAS RN: 185848-10-6
1-(4-METHOXYPHENYL)-2-PYRIMIDIN-4-YLETHANOL
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.20251127 | 250mg / 1g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS185848-10-6
- Purity/Analytical Methods: >99.0%
185848-10-6 / 1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
Basic Information
CAS
185848-10-6
Multi CAS
No
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
SMILES
COC1=CC=C(C=C1)C(CC2=NC=NC=C2)O
InChI
InChI=1S/C13H14N2O2/c1-17-12-4-2-10(3-5-12)13(16)8-11-6-7-14-9-15-11/h2-7,9,13,16H,8H2,1H3
InChIKey
NCDZMQADLRAVOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.69
TPSA
55.24
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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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