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 | Hong Kong | Inquiry |
885167-89-5 / 3-chloro-2-methoxypyridine-4-carbaldehyde
Basic Information
CAS
885167-89-5
Multi CAS
No
Molecular Formula
C7H6CLNO2
Molecular Weight
171.580000
Exact Mass
171.008706
InChI
InChI=1S/C7H6ClNO2/c1-11-7-6(8)5(4-10)2-3-9-7/h2-4H,1H3
InChIKey
AFHJJQSJJLRSNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.19
TPSA
39.19
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.66
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
![CAS 885223-61-0 1H-Pyrazolo[3,4-c]pyridine-5-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885223-61-0.gif)
