CAS RN: 83304-59-0
N-Benzyl-1-(2,4-diMethoxyphenyl)MethanaMine hydrochloride
- Product code: SSC-191203
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 |
83304-59-0 / N-[(2,4-dimethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
Basic Information
CAS
83304-59-0
Multi CAS
No
Molecular Formula
C16H20CLNO2
Molecular Weight
293.790000
Exact Mass
293.118257
InChI
InChI=1S/C16H19NO2.ClH/c1-18-15-9-8-14(16(10-15)19-2)12-17-11-13-6-4-3-5-7-13;/h3-10,17H,11-12H2,1-2H3;1H
InChIKey
GGKNHMJBXGNDRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.78
TPSA
30.49
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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