CAS RN: 1206800-24-9
6-broMo-5-(2-fluoro-4-nitrophenoxy)-1-Methyl-1H-indazole
- Product code: SSC-021756
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 |
1206800-24-9 / 6-bromo-5-(2-fluoro-4-nitrophenoxy)-1-methylindazole
6-Bromo-5-(2-fluoro-4-nitrophenoxy)-1-methyl-1H-indazole | DTXSID10735730 | RefChem:307579
Basic Information
CAS
1206800-24-9
Multi CAS
No
Molecular Formula
C14H9BrFN3O3
Molecular Weight
366.140000
Exact Mass
364.981130
SMILES
CN1C2=CC(=C(C=C2C=N1)OC3=C(C=C(C=C3)[N+](=O)[O-])F)Br
InChI
InChI=1S/C14H9BrFN3O3/c1-18-12-6-10(15)14(4-8(12)7-17-18)22-13-3-2-9(19(20)21)5-11(13)16/h2-7H,1H3
InChIKey
PVURLVXVVVMHMW-UHFFFAOYSA-N
Synonyms
6-Bromo-5-(2-fluoro-4-nitrophenoxy)-1-methyl-1H-indazole
DTXSID10735730
RefChem:307579
DTXCID50686474
MFCD17169897
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
81.54
TPSA
70.19
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
3.7
Consensus LogP
3.86
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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