CAS RN: 214078-93-0
1,8-Dibenzyl-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.20260120 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS214078-93-0
- Purity/Analytical Methods: >99.0%
214078-93-0 / 1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane
Basic Information
CAS
214078-93-0
Multi CAS
No
Molecular Formula
C24H36N4
Molecular Weight
380.600000
Exact Mass
380.293997
SMILES
C1CNCCN(CCCNCCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H36N4/c1-3-9-23(10-4-1)21-27-17-7-13-26-16-20-28(18-8-14-25-15-19-27)22-24-11-5-2-6-12-24/h1-6,9-12,25-26H,7-8,13-22H2
InChIKey
QWGFFCRTIFBAFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
118.41
TPSA
30.54
LogP / Solubility
WLOGP
2.96
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
1-OCTYLGUANIDINE HEMISULFATE 97
- CAS RN: 21409-35-8
- Product Code: starshine_CAS21409-35-8
- Purity/Analytical method: >99.0%
-
-
3-BENZYL-7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
- CAS RN: 21410-06-0
- Product Code: starshine_CAS21410-06-0
- Purity/Analytical method: >99.0%
-
VIRGINIAMYCIN M1
- CAS RN: 21411-53-0
- Product Code: starshine_CAS21411-53-0
- Purity/Analytical method: >99.0%
-
4-(4-BROMOPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
- CAS RN: 214117-50-7
- Product Code: SSC-102648
-
L-MENTHYLAMINE, TECH. 85
- CAS RN: 21411-81-4
- Product Code: starshine_CAS21411-81-4
- Purity/Analytical method: >99.0%
![CAS 21410-06-0 3-BENZYL-7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21410-06-0.gif)
