CAS RN: 1609736-43-7
TCO-Amine 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.20260528 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1609736-43-7
- Purity/Analytical Methods: >99.0%
1609736-43-7 / [(4Z)-cyclooct-4-en-1-yl] N-(3-aminopropyl)carbamate
Basic Information
CAS
1609736-43-7
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCCN
InChI
InChI=1S/C12H22N2O2/c13-9-6-10-14-12(15)16-11-7-4-2-1-3-5-8-11/h1-2,11H,3-10,13H2,(H,14,15)/b2-1-
InChIKey
MMNVKTBTNQJBEE-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.17
TPSA
64.35
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.72
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
2
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