CAS RN: 26413-58-1
2-CHLORO-6-METHYLPYRIDINE-4-CARBONYL CHLORIDE
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.20250301 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26413-58-1
- Purity/Analytical Methods: >99.0%
26413-58-1 / 2-chloro-6-methylpyridine-4-carbonyl chloride
Basic Information
CAS
26413-58-1
Multi CAS
No
Molecular Formula
C7H5Cl2NO
Molecular Weight
190.020000
Exact Mass
188.974819
InChI
InChI=1S/C7H5Cl2NO/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3
InChIKey
YHKLLTUNTUJQSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.17
TPSA
29.96
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.16
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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