CAS RN: 2172852-89-8
(6-METHOXYPYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE
- Product code: SSC-104787
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 |
2172852-89-8 / (6-methoxy-2-pyridinyl)methanamine;dihydrochloride
Basic Information
CAS
2172852-89-8
Multi CAS
No
Molecular Formula
C7H12Cl2N2O
Molecular Weight
211.090000
Exact Mass
210.032668
SMILES
COC1=CC=CC(=N1)CN.Cl.Cl
InChI
InChI=1S/C7H10N2O.2ClH/c1-10-7-4-2-3-6(5-8)9-7;;/h2-4H,5,8H2,1H3;2*1H
InChIKey
PYEQOTUZYBLUTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.18
TPSA
48.14
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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