CAS RN: 1923069-56-0
(S)-AZEPAN-3-OL HCL
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.20260423 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1923069-56-0
- Purity/Analytical Methods: >99.0%
1923069-56-0 / (3S)-azepan-3-ol;hydrochloride
Basic Information
CAS
1923069-56-0
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
C1CCNC[C@H](C1)O.Cl
InChI
InChI=1S/C6H13NO.ClH/c8-6-3-1-2-4-7-5-6;/h6-8H,1-5H2;1H/t6-;/m0./s1
InChIKey
UDCSEKAGGOQECK-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.98
TPSA
32.26
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.26
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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