CAS RN: 66603-34-7
1-Benzylazepan-3-one hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260125 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66603-34-7
- Purity/Analytical Methods: >99.0%
66603-34-7 / 1-benzylazepan-3-one;hydrochloride
Basic Information
CAS
66603-34-7
Multi CAS
No
Molecular Formula
C13H18CLNO
Molecular Weight
239.740000
Exact Mass
239.107692
InChI
InChI=1S/C13H17NO.ClH/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12;/h1-3,6-7H,4-5,8-11H2;1H
InChIKey
IICUGQCLUAVADI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.83
TPSA
20.31
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
(Z)-N’-(2-hydroxy-3-(piperidin-1-yl)propoxy)nicotiniMidaMide
- CAS RN: 66611-37-8
- Product Code: SSC-176289
