![CAS 298220-99-2 8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/298220-99-2.png)
CAS RN: 298220-99-2
8-Chloro-11-fluoro-6,11-dihydro-11-(4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
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.20251229 | 1mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS298220-99-2
- Purity/Analytical Methods: >99.0%
298220-99-2 / 13-chloro-2-fluoro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Basic Information
CAS
298220-99-2
Multi CAS
No
Molecular Formula
C19H20CLFN2
Molecular Weight
330.800000
Exact Mass
330.129905
InChI
InChI=1S/C19H20ClFN2/c20-16-5-6-17-14(12-16)4-3-13-2-1-9-23-18(13)19(17,21)15-7-10-22-11-8-15/h1-2,5-6,9,12,15,22H,3-4,7-8,10-11H2
InChIKey
UTRNCHWURQHTSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.58
TPSA
24.92
LogP / Solubility
WLOGP
4.05
MLOGP
3.58
XLogP3
3.8
Consensus LogP
3.81
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.87
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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