CAS RN: 1187451-41-7
Omidenepag
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251116 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187451-41-7
- Purity/Analytical Methods: >99.0%
1187451-41-7 / 2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
Omidenepag | UR-7276 | Z95F9F9LU4
Basic Information
CAS
1187451-41-7
Multi CAS
No
Molecular Formula
C23H22N6O4S
Molecular Weight
478.500000
Exact Mass
478.142324
SMILES
C1=CC(=NC(=C1)NCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4
InChI
InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)
InChIKey
YHGSTSNEOJUIRN-UHFFFAOYSA-N
Synonyms
Omidenepag
UR-7276
Z95F9F9LU4
UNII-Z95F9F9LU4
UR7276
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
23
Fraction Csp3
0.13
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
124.6
TPSA
130.31
LogP / Solubility
WLOGP
2.55
MLOGP
2.28
XLogP3
1.8
Consensus LogP
2.21
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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