![CAS 128623-08-5 4-{[3-(chloromethyl)phenyl]methyl}morpholine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128623-08-5.gif)
CAS RN: 128623-08-5
4-{[3-(chloromethyl)phenyl]methyl}morpholine 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.20260603 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS128623-08-5
- Purity/Analytical Methods: >99.0%
128623-08-5 / 4-[[3-(chloromethyl)phenyl]methyl]morpholine;hydrochloride
Basic Information
CAS
128623-08-5
Multi CAS
No
Molecular Formula
C12H17Cl2NO
Molecular Weight
262.170000
Exact Mass
261.068720
SMILES
C1COCCN1CC2=CC(=CC=C2)CCl.Cl
InChI
InChI=1S/C12H16ClNO.ClH/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14;/h1-3,8H,4-7,9-10H2;1H
InChIKey
YUVZCSRMKWWNPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.34
TPSA
12.47
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
2.68
Consensus LogP
2.58
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-2.42
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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