![CAS 871700-30-0 MethaniMidaMide, N’-[1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-1,2,3,6-tetrahydro-2,6-dioxo-4-pyriMidinyl]-N,N-diMethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871700-30-0.gif)
CAS RN: 871700-30-0
MethaniMidaMide, N’-[1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-1,2,3,6-tetrahydro-2,6-dioxo-4-pyriMidinyl]-N,N-diMethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251208 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS871700-30-0
- Purity/Analytical Methods: >99.0%
871700-30-0 / N'-[1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
Basic Information
CAS
871700-30-0
Multi CAS
Yes
Molecular Formula
C16FH16In4O2
Molecular Weight
442.230000
Exact Mass
442.030200
InChI
InChI=1S/C16H16FIN4O2/c1-20(2)9-19-14-8-15(23)21(11-4-5-11)16(24)22(14)13-6-3-10(18)7-12(13)17/h3,6-9,11H,4-5H2,1-2H3
InChIKey
GKWAQSJPMOCJHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.08
TPSA
59.6
LogP / Solubility
WLOGP
2.3
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
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
2.5
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![CAS 871700-32-2 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871700-32-2.gif)
