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CAS 56022-07-2 2,4-DICHLORO-6-METHYLNICOTINIC ACID molecular structure lightbox
CAS RN: 56022-07-2

2,4-DICHLORO-6-METHYLNICOTINIC ACID

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100mg / 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56022-07-2
  • Purity/Analytical Methods: >99.0%
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56022-07-2 / 2,4-dichloro-6-methylpyridine-3-carboxylic acid

Standard CAS: 56022-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56022-07-2
Multi CAS
Yes
Molecular Formula
C7H5CL2NO2
Molecular Weight
206.020000
Exact Mass
204.969734
InChI
InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)5(7(11)12)6(9)10-3/h2H,1H3,(H,11,12)
InChIKey
CIVCELMLGDGMKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.95
TPSA
50.19

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.28

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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