![CAS 872359-16-5 (9H-Fluoren-9-yl)MethOxy]Carbonyl Phg(4-F)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872359-16-5.gif)
CAS RN: 872359-16-5
(9H-Fluoren-9-yl)MethOxy]Carbonyl Phg(4-F)-OH
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.20250507 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS872359-16-5
- Purity/Analytical Methods: >99.0%
872359-16-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-fluorophenyl)acetic acid
Basic Information
CAS
872359-16-5
Multi CAS
Yes
Molecular Formula
C23FH18NO4
Molecular Weight
391.400000
Exact Mass
391.121986
InChI
InChI=1S/C23H18FNO4/c24-15-11-9-14(10-12-15)21(22(26)27)25-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13H2,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKey
UUEGPRZUDVECNF-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.98
TPSA
75.63
LogP / Solubility
WLOGP
4.49
MLOGP
3.97
XLogP3
4.4
Consensus LogP
4.29
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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