CAS RN: 500300-39-0
N-(7-Bromo-9-oxo-9H-fluoren-2-yl)acetamide
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.20250225 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN929431
500300-39-0 / N-(7-bromo-9-oxofluoren-2-yl)acetamide
Basic Information
CAS
500300-39-0
Multi CAS
No
Molecular Formula
BC15H10O2Rn
Molecular Weight
316.150000
Exact Mass
314.989490
InChI
InChI=1S/C15H10BrNO2/c1-8(18)17-10-3-5-12-11-4-2-9(16)6-13(11)15(19)14(12)7-10/h2-7H,1H3,(H,17,18)
InChIKey
CKPVHGKLBSCMFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.31
TPSA
46.17
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
3
Consensus LogP
3.27
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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