CAS RN: 2474876-09-8
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260401 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2474876-09-8
- Purity/Analytical Methods: >99.0%
2474876-09-8 / 4-acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
Basic Information
CAS
2474876-09-8
Multi CAS
No
Molecular Formula
C23H27FN2O4
Molecular Weight
414.500000
Exact Mass
414.195486
SMILES
C[C@@H](C1=CC=CC=C1)OC2=C(C(=CC(=C2)C(=O)NC3CCC(CC3)O)F)NC(=O)C
InChI
InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18?,19?/m0/s1
InChIKey
FRBRZGLUFOZRGD-YCMKEVRSSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
111.92
TPSA
87.66
LogP / Solubility
WLOGP
3.96
MLOGP
3.51
XLogP3
3
Consensus LogP
3.49
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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