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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
85686-48-2 / 6-(2,4-dichlorophenoxy)pyridin-3-amine
Basic Information
CAS
85686-48-2
Multi CAS
No
Molecular Formula
C11H8CL2N2O
Molecular Weight
255.100000
Exact Mass
254.001368
InChI
InChI=1S/C11H8Cl2N2O/c12-7-1-3-10(9(13)5-7)16-11-4-2-8(14)6-15-11/h1-6H,14H2
InChIKey
XBBAKFQNAVTALV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.19
TPSA
48.14
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.3
Consensus LogP
3.46
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Imidazo[1,5-a]pyridine-5-carboxaldehyde (9CI)
- CAS RN: 85691-71-0
- Product Code: starshine_CAS85691-71-0
- Purity/Analytical method: >99.0%
-
-
METHYL 4,4,4-TRIFLUOROCROTONATE
- CAS RN: 85694-31-1
- Product Code: starshine_CAS85694-31-1
- Purity/Analytical method: >99.0%
-
1,2,5-Thiadiazolidine,2-(1-methylethyl)-,1,1-dioxide(9CI)
- CAS RN: 85694-52-6
- Product Code: SSC-194234
-
![CAS 85691-71-0 Imidazo[1,5-a]pyridine-5-carboxaldehyde (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85691-71-0.gif)
