CAS RN: 1261365-50-7
5-Chloro-3-(dimethoxymethyl)-2-methoxypyridine
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.20251215 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261365-50-7
- Purity/Analytical Methods: >99.0%
1261365-50-7 / 5-chloro-3-(dimethoxymethyl)-2-methoxypyridine
Basic Information
CAS
1261365-50-7
Multi CAS
No
Molecular Formula
C9H12ClNO3
Molecular Weight
217.650000
Exact Mass
217.050571
SMILES
COC1=C(C=C(C=N1)Cl)C(OC)OC
InChI
InChI=1S/C9H12ClNO3/c1-12-8-7(9(13-2)14-3)4-6(10)5-11-8/h4-5,9H,1-3H3
InChIKey
JGQLXELFERSKEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
52.56
TPSA
40.58
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
1.4
Consensus LogP
1.74
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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