CAS RN: 1000373-79-4
1H-Indazole-6-carboxylic acid, 5-aMino-, Methyl ester
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.20250227 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-000177
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1000373-79-4 / methyl 5-amino-1H-indazole-6-carboxylate
methyl 5-amino-1H-indazole-6-carboxylate | 1000373-79-4 | MFCD24642226
Basic Information
CAS
1000373-79-4
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
COC(=O)C1=C(C=C2C=NNC2=C1)N
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,10H2,1H3,(H,11,12)
InChIKey
LMEIFDLPUOSPCQ-UHFFFAOYSA-N
Synonyms
methyl 5-amino-1H-indazole-6-carboxylate
1000373-79-4
MFCD24642226
1H-Indazole-6-carboxylic acid, 5-amino-, methyl ester
KTX-582 intermediate-4
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.85
TPSA
81
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1.3
Consensus LogP
1.02
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.22
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
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