CAS RN: 1784544-06-4
3-Pyridinemethanamine, 6-chloro-2-methoxy-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1784544-06-4
- Purity/Analytical Methods: >99.0%
1784544-06-4 / (6-chloro-2-methoxy-3-pyridinyl)methanamine
Basic Information
CAS
1784544-06-4
Multi CAS
No
Molecular Formula
C7H9ClN2O
Molecular Weight
172.610000
Exact Mass
172.040341
SMILES
COC1=C(C=CC(=N1)Cl)CN
InChI
InChI=1S/C7H9ClN2O/c1-11-7-5(4-9)2-3-6(8)10-7/h2-3H,4,9H2,1H3
InChIKey
FKEBUOUBEHEYDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.69
TPSA
48.14
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.92
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
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