CAS RN: 1824022-04-9
Benzyl ((4-Fluoroazepan-4-Yl)Methyl)Carbamate Hydrochloride(WX601236)
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.20260206 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1824022-04-9
- Purity/Analytical Methods: >99.0%
1824022-04-9 / benzyl N-[(4-fluoroazepan-4-yl)methyl]carbamate;hydrochloride
Basic Information
CAS
1824022-04-9
Multi CAS
No
Molecular Formula
C15H22ClFN2O2
Molecular Weight
316.800000
Exact Mass
316.135384
SMILES
C1CC(CCNC1)(CNC(=O)OCC2=CC=CC=C2)F.Cl
InChI
InChI=1S/C15H21FN2O2.ClH/c16-15(7-4-9-17-10-8-15)12-18-14(19)20-11-13-5-2-1-3-6-13;/h1-3,5-6,17H,4,7-12H2,(H,18,19);1H
InChIKey
PWGRELDFUJMPIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.44
TPSA
50.36
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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