CAS RN: 871700-18-4
1-cyclopropyl-3-(2-fluoro-4-iodophenyl)urea
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.20250118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871700-18-4
- Purity/Analytical Methods: >99.0%
871700-18-4 / 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)urea
Basic Information
CAS
871700-18-4
Multi CAS
No
Molecular Formula
C10FH10In2O
Molecular Weight
320.100000
Exact Mass
319.982190
InChI
InChI=1S/C10H10FIN2O/c11-8-5-6(12)1-4-9(8)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)
InChIKey
GAJDOJAFIZOJMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
64.29
TPSA
41.13
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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