CAS RN: 1058740-88-7
Methyl 1-Methyl-6-nitro-1H-indazole-3-carboxylate
- Product code: SSC-007543
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 | Shanghai | Inquiry |
1058740-88-7 / methyl 1-methyl-6-nitroindazole-3-carboxylate
METHYL 1-METHYL-6-NITRO-1H-INDAZOLE-3-CARBOXYLATE | methyl 1-methyl-6-nitroindazole-3-carboxylate | MFCD21642035
Basic Information
CAS
1058740-88-7
Multi CAS
No
Molecular Formula
C10H9N3O4
Molecular Weight
235.200000
Exact Mass
235.059306
SMILES
CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=N1)C(=O)OC
InChI
InChI=1S/C10H9N3O4/c1-12-8-5-6(13(15)16)3-4-7(8)9(11-12)10(14)17-2/h3-5H,1-2H3
InChIKey
ZGTKFHNSAMTKIO-UHFFFAOYSA-N
Synonyms
METHYL 1-METHYL-6-NITRO-1H-INDAZOLE-3-CARBOXYLATE
methyl 1-methyl-6-nitroindazole-3-carboxylate
MFCD21642035
SCHEMBL2848565
ZGTKFHNSAMTKIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
58.71
TPSA
87.26
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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