CAS RN: 1159000-88-0
5-Bromo-2-(4-methoxybenzyloxy)pyrimidine
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.20260327 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1159000-88-0
- Purity/Analytical Methods: >99.0%
1159000-88-0 / 5-bromo-2-[(4-methoxyphenyl)methoxy]pyrimidine
5-BROMO-2-(4-METHOXYBENZYLOXY)PYRIMIDINE | 5-Bromo-2-((4-methoxybenzyl)oxy)pyrimidine | 5-bromo-2-[(4-methoxyphenyl)methoxy]pyrimidine
Basic Information
CAS
1159000-88-0
Multi CAS
No
Molecular Formula
C12H11BrN2O2
Molecular Weight
295.130000
Exact Mass
294.000390
SMILES
COC1=CC=C(C=C1)COC2=NC=C(C=N2)Br
InChI
InChI=1S/C12H11BrN2O2/c1-16-11-4-2-9(3-5-11)8-17-12-14-6-10(13)7-15-12/h2-7H,8H2,1H3
InChIKey
DFRQBWBLLNYQKN-UHFFFAOYSA-N
Synonyms
5-BROMO-2-(4-METHOXYBENZYLOXY)PYRIMIDINE
5-Bromo-2-((4-methoxybenzyl)oxy)pyrimidine
5-bromo-2-[(4-methoxyphenyl)methoxy]pyrimidine
MFCD12026110
Pyrimidine, 5-bromo-2-[(4-methoxyphenyl)methoxy]-
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.06
TPSA
44.24
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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