Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
1285603-68-0 / 6-chloro-4-morpholin-4-ylpyridin-2-amine
Basic Information
CAS
1285603-68-0
Multi CAS
No
Molecular Formula
C9H12ClN3O
Molecular Weight
213.660000
Exact Mass
213.066890
SMILES
C1COCCN1C2=CC(=NC(=C2)Cl)N
InChI
InChI=1S/C9H12ClN3O/c10-8-5-7(6-9(11)12-8)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,11,12)
InChIKey
VLYQPOZBBSPQDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.69
TPSA
51.38
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.2
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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