CAS RN: 1204669-37-3
IDO inhibitor 1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1204669-37-3
- Purity/Analytical Methods: >99.0%
1204669-37-3 / N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
INCB24360 | RefChem:923372 | Epacadostat
Basic Information
CAS
1204669-37-3
Multi CAS
Yes
Molecular Formula
C11H13BrFN7O4S
Molecular Weight
438.240000
Exact Mass
436.991710
SMILES
C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F
InChI
InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
InChIKey
FBKMWOJEPMPVTQ-UHFFFAOYSA-N
Synonyms
INCB24360
RefChem:923372
Epacadostat
IDO inhibitor 1
INCB-024360
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
5
Molar refractivity
89.12
TPSA
167.76
LogP / Solubility
WLOGP
0.23
MLOGP
0.23
XLogP3
0.8
Consensus LogP
0.42
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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![CAS 1204669-67-9 1,2,4-Oxadiazol-5(4H)-one, 3-[4-[(2-aminoethyl)amino]-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204669-67-9.gif)
![CAS 1204669-69-1 Carbamic acid,N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204669-69-1.gif)
![CAS 1204669-70-4 Sulfamide,N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204669-70-4.gif)
![CAS 1204700-92-4 Butanoic acid, 4,4′-[[(1,1-dimethylethoxy)carbonyl]imino]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204700-92-4.gif)
