CAS RN: 69703-25-9
N,N’-Dibenzyl-4,13-diaza-18-crown 6-Ether
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: SSC-179435
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
69703-25-9 / 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Basic Information
CAS
69703-25-9
Multi CAS
No
Molecular Formula
C26H38N2O4
Molecular Weight
442.600000
Exact Mass
442.283158
InChI
InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
InChIKey
WAHZGOBRKWVALN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
126.71
TPSA
43.4
LogP / Solubility
WLOGP
3.07
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.83
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
