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 |
2770-11-8 / 2-(4-chlorophenoxy)aniline
Basic Information
CAS
2770-11-8
Multi CAS
No
Molecular Formula
C12H10ClNO
Molecular Weight
219.660000
Exact Mass
219.045092
SMILES
C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2
InChIKey
QKKBREBZMUFUDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.38
TPSA
35.25
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.1
Consensus LogP
3.36
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.42
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
![CAS 2770-01-6 4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2770-01-6.gif)