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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
887567-80-8 / 4,6-difluoro-2H-indazole-3-carbaldehyde
Basic Information
CAS
887567-80-8
Multi CAS
Yes
Molecular Formula
C8F2H4N2O
Molecular Weight
182.130000
Exact Mass
182.029169
InChI
InChI=1S/C8H4F2N2O/c9-4-1-5(10)8-6(2-4)11-12-7(8)3-13/h1-3H,(H,11,12)
InChIKey
TVWXGRIXOURZGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.4
TPSA
45.75
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
6-BROMO-4-CHLORO-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 887568-18-5
- Product Code: SSC-200318
-
-
6-BROMO-4-IODO-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 887568-63-0
- Product Code: SSC-200321
