CAS RN: 1384268-59-0
(S)-3-(CBZ-AMINO)-AZEPANE 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.20250511 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1384268-59-0
- Purity/Analytical Methods: >99.0%
1384268-59-0 / benzyl N-[(3S)-azepan-3-yl]carbamate;hydrochloride
Basic Information
CAS
1384268-59-0
Multi CAS
No
Molecular Formula
C14H21ClN2O2
Molecular Weight
284.780000
Exact Mass
284.129156
SMILES
C1CCNC[C@H](C1)NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H20N2O2.ClH/c17-14(16-13-8-4-5-9-15-10-13)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H/t13-;/m0./s1
InChIKey
KIYNSUYGQIRGIM-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.52
TPSA
50.36
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.48
Consensus LogP
2.38
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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