CAS RN: 280773-16-2
2-nitro-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS280773-16-2
- Purity/Analytical Methods: >99.0%
280773-16-2 / N-(5-chloro-2-pyridinyl)-5-methoxy-2-nitrobenzamide
Basic Information
CAS
280773-16-2
Multi CAS
No
Molecular Formula
C13H10ClN3O4
Molecular Weight
307.690000
Exact Mass
307.035984
InChI
InChI=1S/C13H10ClN3O4/c1-21-9-3-4-11(17(19)20)10(6-9)13(18)16-12-5-2-8(14)7-15-12/h2-7H,1H3,(H,15,16,18)
InChIKey
CTIVJPFRQHXZGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.85
TPSA
94.36
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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