CAS RN: 871700-26-4
2-cyano-N-cyclopropyl-N-(2-fluoro-4-iodophenylcarbaMoyl)acetaMide
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.20250609 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871700-26-4
- Purity/Analytical Methods: >99.0%
871700-26-4 / 2-cyano-N-cyclopropyl-N-[(2-fluoro-4-iodophenyl)carbamoyl]acetamide
Basic Information
CAS
871700-26-4
Multi CAS
No
Molecular Formula
C13FH11In3O2
Molecular Weight
387.150000
Exact Mass
386.988000
InChI
InChI=1S/C13H11FIN3O2/c14-10-7-8(15)1-4-11(10)17-13(20)18(9-2-3-9)12(19)5-6-16/h1,4,7,9H,2-3,5H2,(H,17,20)
InChIKey
NTVQGIQRXWIFGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.23
TPSA
73.2
LogP / Solubility
WLOGP
2.87
MLOGP
2.55
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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