![CAS 852227-85-1 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-methylmethanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852227-85-1.gif)
CAS RN: 852227-85-1
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-methylmethanamine hydrochloride
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.20250509 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS852227-85-1
- Purity/Analytical Methods: >99.0%
852227-85-1 / 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine;hydrochloride
Basic Information
CAS
852227-85-1
Multi CAS
No
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9;/h2-3,6,11H,4-5,7H2,1H3;1H
InChIKey
DPCQMTBVVTUKKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.44
TPSA
30.49
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.9
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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