CAS RN: 1258292-64-6
2,6-dichloro-N-(2-(cyclopropanecarboxamido)pyridin-4-yl)benzamide
Product Availability
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13 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250815 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250423 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1258292-64-6
- Purity/Analytical Methods: >99.0%
1258292-64-6 / 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
Basic Information
CAS
1258292-64-6
Multi CAS
No
Molecular Formula
C16H13Cl2N3O2
Molecular Weight
350.200000
Exact Mass
349.038482
SMILES
C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)
InChIKey
IAFNAEGXTKTGHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
90.01
TPSA
71.09
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
2.9
Consensus LogP
3.47
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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