CAS RN: 898796-01-5
6-(3,5-Dichlorophenyl)-3-pyridinecarbaldehyde
- Product code: SSC-202054
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 | Shenzhen | Inquiry |
898796-01-5 / 6-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
Basic Information
CAS
898796-01-5
Multi CAS
No
Molecular Formula
C12H7CL2NO
Molecular Weight
252.090000
Exact Mass
250.990469
InChI
InChI=1S/C12H7Cl2NO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-7H
InChIKey
AYRBJVNKGLHQDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.08
TPSA
29.96
LogP / Solubility
WLOGP
3.87
MLOGP
3.41
XLogP3
3.2
Consensus LogP
3.49
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-1.51
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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