![CAS 74043-83-7 1,6,20,25-Tetraaza[6.1.6.1]paracyclophane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1378-jpgcontextbwfzdgvyfhjvb3r8ndgxndd8aw1hz2uvanblz3xoytuvadyxlzg5mzi0mzkxnji5mtavvdeznzguanbnfdmwyjljnti4mdbkndbjmjdmnzmzmjdmmjg0nznkzgzkmmfmymrmztfkmjhim2mxymzkotq3nzaxyzm4ytq5yzy.jpeg)
CAS RN: 74043-83-7
1,6,20,25-Tetraaza[6.1.6.1]paracyclophane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250815 | 100mg | Out of stock | Inquiry |
- Product code: ICTT1378
- Purity/Analytical Methods: >98.0%(HPLC)
74043-83-7 / 7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene
Basic Information
CAS
74043-83-7
Multi CAS
No
Molecular Formula
C34H40N4
Molecular Weight
504.700000
Exact Mass
504.325297
InChI
InChI=1S/C34H40N4/c1-2-22-36-32-15-7-28(8-16-32)26-30-11-19-34(20-12-30)38-24-4-3-23-37-33-17-9-29(10-18-33)25-27-5-13-31(14-6-27)35-21-1/h5-20,35-38H,1-4,21-26H2
InChIKey
MSPWJYMWDZWVPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
4
Molar refractivity
163.81
TPSA
48.12
LogP / Solubility
WLOGP
7.79
MLOGP
6.89
XLogP3
8.6
Consensus LogP
7.76
Log S (ESOL)
-8.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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