![CAS 930111-03-8 3-[2-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/930111-03-8.gif)
CAS RN: 930111-03-8
3-[2-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine 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.20260222 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS930111-03-8
- Purity/Analytical Methods: >99.0%
930111-03-8 / 3-[2-(chloromethyl)phenoxy]-N,N-dimethylpropan-1-amine;hydrochloride
Basic Information
CAS
930111-03-8
Multi CAS
No
Molecular Formula
C12H19CL2NO
Molecular Weight
264.190000
Exact Mass
263.084370
InChI
InChI=1S/C12H18ClNO.ClH/c1-14(2)8-5-9-15-12-7-4-3-6-11(12)10-13;/h3-4,6-7H,5,8-10H2,1-2H3;1H
InChIKey
FJINIPMBLHIDJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.91
TPSA
12.47
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
3.18
Consensus LogP
3.05
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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