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CAS 69049-74-7 NEDOCROMIL SODIUM molecular structure lightbox
CAS RN: 69049-74-7

NEDOCROMIL SODIUM

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS69049-74-7
  • Purity/Analytical Methods: >99.0%
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69049-74-7 / disodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate

Standard CAS: 69049-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69049-74-7
Multi CAS
Yes
Molecular Formula
C19H15NNA2O7
Molecular Weight
415.300000
Exact Mass
415.064390
InChI
InChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2
InChIKey
JQEKDNLKIVGXAU-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
92.58
TPSA
132.47

LogP / Solubility

WLOGP
-6.18
MLOGP
-5.42
XLogP3
-6.18
Consensus LogP
-5.93
Log S (ESOL)
1.45
Class (ESOL)
Highly soluble
Log S (Ali)
1.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.17
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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