CAS RN: 1256794-74-7
6-chloro-4-(4-chlorophenyl)pyridine-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.20260610 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-030687
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 | Shenzhen | Inquiry |
1256794-74-7 / 6-chloro-4-(4-chlorophenyl)pyridine-3-carboxylic acid
Basic Information
CAS
1256794-74-7
Multi CAS
No
Molecular Formula
C12H7Cl2NO2
Molecular Weight
268.090000
Exact Mass
266.985384
SMILES
C1=CC(=CC=C1C2=CC(=NC=C2C(=O)O)Cl)Cl
InChI
InChI=1S/C12H7Cl2NO2/c13-8-3-1-7(2-4-8)9-5-11(14)15-6-10(9)12(16)17/h1-6H,(H,16,17)
InChIKey
RQKIPKLSFPBJKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.65
TPSA
50.19
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
3.6
Consensus LogP
3.55
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
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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