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CAS 1309357-15-0 CX-4945 (sodiuM salt) molecular structure lightbox
CAS RN: 1309357-15-0

CX-4945 (sodiuM salt)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1309357-15-0
  • Purity/Analytical Methods: >99.0%
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1309357-15-0 / sodium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate

Standard CAS: 1309357-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309357-15-0
Multi CAS
No
Molecular Formula
C19H11ClN3NaO2
Molecular Weight
371.700000
Exact Mass
371.043749
SMILES
C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)[O-])C4=C2C=CN=C4.[Na+]
InChI
InChI=1S/C19H12ClN3O2.Na/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);/q;+1/p-1
InChIKey
ODDAAPQSODILSN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.11
TPSA
77.94

LogP / Solubility

WLOGP
0.55
MLOGP
0.5
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
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)
-4.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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