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CAS 685115-77-9 1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide molecular structure lightbox
CAS RN: 685115-77-9

1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS685115-77-9
  • Purity/Analytical Methods: >99.0%
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685115-77-9 / 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

Standard CAS: 685115-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
685115-77-9
Multi CAS
No
Molecular Formula
C11H13CL2N3O
Molecular Weight
274.140000
Exact Mass
273.043567
InChI
InChI=1S/C11H13Cl2N3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17)
InChIKey
BJCHGDBASIDUOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.39
TPSA
59.22

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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