CAS RN: 61533-68-4
2-chloro-5-(2-methoxyethoxy)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.20250728 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61533-68-4
- Purity/Analytical Methods: >99.0%
61533-68-4 / 2-chloro-5-(2-methoxyethoxy)pyrimidine
Basic Information
CAS
61533-68-4
Multi CAS
No
Molecular Formula
C7H9CLN2O2
Molecular Weight
188.610000
Exact Mass
188.035255
InChI
InChI=1S/C7H9ClN2O2/c1-11-2-3-12-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKey
YCNYOQHFLUPLKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
44.41
TPSA
44.24
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.32
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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