CAS RN: 1135821-47-4
5-(3-BROMOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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.20251217 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013673
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 |
1135821-47-4 / 3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
5-(3-Bromophenyl)-1H-pyrazole-3-carboxylic acid | 3-(3-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID | MFCD06410000
Basic Information
CAS
1135821-47-4
Multi CAS
No
Molecular Formula
C10H7BrN2O2
Molecular Weight
267.080000
Exact Mass
265.969090
SMILES
C1=CC(=CC(=C1)Br)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKey
OWLGITCDNHDLLY-UHFFFAOYSA-N
Synonyms
5-(3-Bromophenyl)-1H-pyrazole-3-carboxylic acid
3-(3-BROMOPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
MFCD06410000
1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-
5-(3-Bromophenyl)-1H-pyrazole-3-carboxylicacid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.68
TPSA
65.98
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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