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CAS 1187451-19-9 Omidenepag Isopropyl molecular structure lightbox
CAS RN: 1187451-19-9

Omidenepag Isopropyl

  • Product code: SSC-018698
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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: 0.1g
  • 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 1187451-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1187451-19-9 / propan-2-yl 2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetate

Omidenepag isopropyl | DE-117 | Omlonti

Standard CAS: 1187451-19-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187451-19-9
Multi CAS
Yes
Molecular Formula
C26H28N6O4S
Molecular Weight
520.600000
Exact Mass
520.189275
SMILES
CC(C)OC(=O)CNC1=CC=CC(=N1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4
InChI
InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)
InChIKey
VIQCWEGEHRBLAC-UHFFFAOYSA-N
Synonyms
Omidenepag isopropyl DE-117 Omlonti G0G0H52U6K DTXSID001106409

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
23
Fraction Csp3
0.23
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
1
Molar refractivity
138.19
TPSA
119.31

LogP / Solubility

WLOGP
3.42
MLOGP
3.05
XLogP3
3
Consensus LogP
3.16
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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