![CAS 1375466-18-4 2-[1-(3-Fluoro-phenyl)-cyclohexylamino]-pyrimidine-5-carboxylic acid hydroxyamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1375466-18-4.gif)
CAS RN: 1375466-18-4
2-[1-(3-Fluoro-phenyl)-cyclohexylamino]-pyrimidine-5-carboxylic acid hydroxyamide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251209 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1375466-18-4
- Purity/Analytical Methods: >99.0%
1375466-18-4 / 2-[[1-(3-fluorophenyl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide
Basic Information
CAS
1375466-18-4
Multi CAS
No
Molecular Formula
C17H19FN4O2
Molecular Weight
330.360000
Exact Mass
330.149204
SMILES
C1CCC(CC1)(C2=CC(=CC=C2)F)NC3=NC=C(C=N3)C(=O)NO
InChI
InChI=1S/C17H19FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h4-6,9-11,24H,1-3,7-8H2,(H,22,23)(H,19,20,21)
InChIKey
IYBURCQQEUNLDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.07
TPSA
87.14
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1375471-83-2 2-(8-(tert-butoxycarbonyl)-8-aza-bicyclo[3.2.1]octan-3-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02685018(1).gif)
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