![CAS 923247-91-0 1-(CHLOROACETYL)-4-[(2,6-DIFLUOROPHENYL)SULFONYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3391552.gif)
CAS RN: 923247-91-0
1-(CHLOROACETYL)-4-[(2,6-DIFLUOROPHENYL)SULFONYL]PIPERAZINE
- Product code: SSC-205948
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
923247-91-0 / 2-[3-(2-hydroxyethyl)-4-oxophthalazin-1-yl]acetic acid
Basic Information
CAS
923247-91-0
Multi CAS
Yes
Molecular Formula
C12H12N2O4
Molecular Weight
248.230000
Exact Mass
248.079707
InChI
InChI=1S/C12H12N2O4/c15-6-5-14-12(18)9-4-2-1-3-8(9)10(13-14)7-11(16)17/h1-4,15H,5-7H2,(H,16,17)
InChIKey
GFXRQJWQOBKJIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.43
TPSA
92.42
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
0.2
Consensus LogP
0.08
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22
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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