CAS RN: 1378804-33-1
(6-Chloropyridazin-3-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251213 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250309 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251013 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260329 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-047552
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 |
1378804-33-1 / 2-(6-chloropyridazin-3-yl)acetic acid
Basic Information
CAS
1378804-33-1
Multi CAS
No
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
SMILES
C1=CC(=NN=C1CC(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8-9-5)3-6(10)11/h1-2H,3H2,(H,10,11)
InChIKey
AQORLGOSYXGDKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.38
TPSA
63.08
LogP / Solubility
WLOGP
0.76
MLOGP
0.66
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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