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CAS 845306-05-0 6-Chloro-N,N-dimethylpyridine-2-carboxamide molecular structure lightbox
CAS RN: 845306-05-0

6-Chloro-N,N-dimethylpyridine-2-carboxamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS845306-05-0
  • Purity/Analytical Methods: >99.0%
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845306-05-0 / 6-chloro-N,N-dimethylpyridine-2-carboxamide

Standard CAS: 845306-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845306-05-0
Multi CAS
No
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
InChI
InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3
InChIKey
CNCWTWVWSPMBLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.26
TPSA
33.2

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.6
Consensus LogP
1.43
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.83

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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