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CAS 1309776-70-2 azilsartan ethanaMiniuM salt 2：1 molecular structure lightbox
CAS RN: 1309776-70-2

azilsartan ethanaMiniuM salt 2：1

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250506 1g In stock Shandong Inquiry
Batchno.20251202 200mg Out of stock 8-10 business days Inquiry
  • Product code: LINM830098
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1309776-70-2 / 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;2-hydroxyethyl(trimethyl)azanium

Standard CAS: 1309776-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309776-70-2
Multi CAS
No
Molecular Formula
C30H33N5O6
Molecular Weight
559.600000
Exact Mass
559.243084
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)[O-].C[N+](C)(C)CCO
InChI
InChI=1S/C25H20N4O5.C5H14NO/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22;1-6(2,3)4-5-7/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32);7H,4-5H2,1-3H3/q;+1/p-1
InChIKey
RGPFEJSMFMFCIT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
26
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
152.32
TPSA
146.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.28
XLogP3
2.54
Consensus LogP
2.45
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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