CAS RN: 132723-93-4
1-Benzyl-1,4,8,11-tetraazacyclotetradecane
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.20260302 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS132723-93-4
- Purity/Analytical Methods: >99.0%
132723-93-4 / 1-benzyl-1,4,8,11-tetrazacyclotetradecane
Basic Information
CAS
132723-93-4
Multi CAS
No
Molecular Formula
C17H30N4
Molecular Weight
290.400000
Exact Mass
290.247047
SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=CC=C2
InChI
InChI=1S/C17H30N4/c1-2-6-17(7-3-1)16-21-14-5-10-19-12-11-18-8-4-9-20-13-15-21/h1-3,6-7,18-20H,4-5,8-16H2
InChIKey
WNEKVKFZHNGHEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
89.56
TPSA
39.33
LogP / Solubility
WLOGP
1.05
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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