CAS RN: 254109-22-3
DAF-FM DA
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.20251018 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS254109-22-3
- Purity/Analytical Methods: >99.0%
254109-22-3 / [6'-acetyloxy-4-amino-2',7'-difluoro-5-(methylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Basic Information
CAS
254109-22-3
Multi CAS
No
Molecular Formula
C25H18F2N2O7
Molecular Weight
496.400000
Exact Mass
496.108207
SMILES
CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=C(C(=C(C=C5)NC)N)C(=O)O4)F)OC(=O)C)F
InChI
InChI=1S/C25H18F2N2O7/c1-10(30)33-20-8-18-13(6-15(20)26)25(12-4-5-17(29-3)23(28)22(12)24(32)36-25)14-7-16(27)21(34-11(2)31)9-19(14)35-18/h4-9,29H,28H2,1-3H3
InChIKey
BEVHTVRRVVEMEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
2
Molar refractivity
121.19
TPSA
126.18
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.76
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 254452-88-5 (3S,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid CalciuM Salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/254452-88-5.gif)
![CAS 254452-92-1 (3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid CalciuM Salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/254452-92-1.gif)
