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CAS 1417576-00-1 Azilsartan Impurity 16 molecular structure lightbox
CAS RN: 1417576-00-1

Azilsartan Impurity 16

  • Product code: SSC-052402
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1417576-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1417576-00-1 / (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-oxo-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylate

Standard CAS: 1417576-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417576-00-1
Multi CAS
No
Molecular Formula
C28H20N4O8
Molecular Weight
540.500000
Exact Mass
540.128114
SMILES
CC1=C(OC(=O)O1)COC(=O)C2=C3C(=CC=C2)NC(=O)N3CC4=CC=C(C=C4)C5=CC=CC=C5C6=NOC(=O)N6
InChI
InChI=1S/C28H20N4O8/c1-15-22(39-28(36)38-15)14-37-25(33)20-7-4-8-21-23(20)32(26(34)29-21)13-16-9-11-17(12-10-16)18-5-2-3-6-19(18)24-30-27(35)40-31-24/h2-12H,13-14H2,1H3,(H,29,34)(H,30,31,35)
InChIKey
MZPRTKPTVHPGEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
31
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
2
Molar refractivity
140.76
TPSA
166.33

LogP / Solubility

WLOGP
3.6
MLOGP
3.21
XLogP3
3.5
Consensus LogP
3.44
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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