CAS RN: 1087659-30-0
6-Chloro-2,3-dimethoxypyridine
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1087659-30-0
- Purity/Analytical Methods: >99.0%
1087659-30-0 / 6-chloro-2,3-dimethoxypyridine
6-Chloro-2,3-dimethoxypyridine | DTXSID00670146 | RefChem:541467
Basic Information
CAS
1087659-30-0
Multi CAS
No
Molecular Formula
C7H8ClNO2
Molecular Weight
173.600000
Exact Mass
173.024356
SMILES
COC1=C(N=C(C=C1)Cl)OC
InChI
InChI=1S/C7H8ClNO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
InChIKey
RIBNMZVQKQHUSA-UHFFFAOYSA-N
Synonyms
6-Chloro-2,3-dimethoxypyridine
DTXSID00670146
RefChem:541467
DTXCID70620895
106-966-0
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
42.35
TPSA
31.35
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.53
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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