CAS RN: 1823319-26-1
(4-fluoroazepan-4-yl)methanol 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.20260601 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823319-26-1
- Purity/Analytical Methods: >99.0%
1823319-26-1 / (4-fluoroazepan-4-yl)methanol;hydrochloride
Basic Information
CAS
1823319-26-1
Multi CAS
No
Molecular Formula
C7H15ClFNO
Molecular Weight
183.650000
Exact Mass
183.082620
SMILES
C1CC(CCNC1)(CO)F.Cl
InChI
InChI=1S/C7H14FNO.ClH/c8-7(6-10)2-1-4-9-5-3-7;/h9-10H,1-6H2;1H
InChIKey
HXHPLSNVNVJGGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.89
TPSA
32.26
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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