CAS RN: 66095-18-9
BENZYL N-(6-AMINOHEXYL)CARBAMATE 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.20260309 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66095-18-9
- Purity/Analytical Methods: >99.0%
66095-18-9 / benzyl N-(6-aminohexyl)carbamate
Basic Information
CAS
66095-18-9
Multi CAS
Yes
Molecular Formula
C14H22N2O2
Molecular Weight
250.340000
Exact Mass
250.168128
InChI
InChI=1S/C14H22N2O2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)
InChIKey
LXLLLPSNNRGWJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.15
TPSA
64.35
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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