![CAS 926921-62-2 3-[3-(chloromethyl)phenoxy]-n,n-dimethylpropylamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926921-62-2.gif)
CAS RN: 926921-62-2
3-[3-(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.20260517 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS926921-62-2
- Purity/Analytical Methods: >99.0%
926921-62-2 / 3-[3-(chloromethyl)phenoxy]-N,N-dimethylpropan-1-amine;hydrochloride
Basic Information
CAS
926921-62-2
Multi CAS
No
Molecular Formula
C12H19CL2NO
Molecular Weight
264.190000
Exact Mass
263.084370
InChI
InChI=1S/C12H18ClNO.ClH/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13;/h3,5-6,9H,4,7-8,10H2,1-2H3;1H
InChIKey
MCRYCZSEVCPYAW-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
Customers Also Viewed
-
![CAS 926921-67-7 4-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97% molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97%
- CAS RN: 926921-67-7
- Product Code: starshine_CAS926921-67-7
- Purity/Analytical method: >99.0%
-
-
-
-
1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
- CAS RN: 926926-62-7
- Product Code: starshine_CAS926926-62-7
- Purity/Analytical method: >99.0%
-
Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate
- CAS RN: 926927-42-6
- Product Code: starshine_CAS926927-42-6
- Purity/Analytical method: >99.0%
![CAS 926921-67-7 4-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926921-67-7.gif)
![CAS 926926-62-7 1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926926-62-7.gif)
![CAS 926927-42-6 Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926927-42-6.gif)