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CAS 864272-34-4 Sorafenib Impurity 35 molecular structure lightbox
CAS RN: 864272-34-4

Sorafenib Impurity 35

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS864272-34-4
  • Purity/Analytical Methods: >99.0%
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864272-34-4 / N-methyl-4-(4-nitrophenoxy)pyridine-2-carboxamide

Standard CAS: 864272-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864272-34-4
Multi CAS
No
Molecular Formula
C13H11N3O4
Molecular Weight
273.240000
Exact Mass
273.074956
InChI
InChI=1S/C13H11N3O4/c1-14-13(17)12-8-11(6-7-15-12)20-10-4-2-9(3-5-10)16(18)19/h2-8H,1H3,(H,14,17)
InChIKey
KAJHMYQEWVHEBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.8
TPSA
94.36

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.87

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
1.5

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