CAS RN: 2470440-73-2
(4-(Pyridin-2-yl)phenyl)methanamine dihydrochloride
- Product code: SSC-119675
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2470440-73-2 / (4-pyridin-2-ylphenyl)methanamine;dihydrochloride
Basic Information
CAS
2470440-73-2
Multi CAS
No
Molecular Formula
C12H14Cl2N2
Molecular Weight
257.160000
Exact Mass
256.053404
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)CN.Cl.Cl
InChI
InChI=1S/C12H12N2.2ClH/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;;/h1-8H,9,13H2;2*1H
InChIKey
DGVXVPUPKNMAIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.06
TPSA
38.91
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.05
Consensus LogP
2.93
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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