![CAS 1355620-88-0 1,4,7,10-Tetraoxacyclododecino[2,3-g]quinolin-15(12H)-one, 2,3,5,6,8,9-hexahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355620-88-0.gif)
CAS RN: 1355620-88-0
1,4,7,10-Tetraoxacyclododecino[2,3-g]quinolin-15(12H)-one, 2,3,5,6,8,9-hexahydro-
- Product code: SSC-044083
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 | Shanghai | Inquiry |
1355620-88-0 / 2,5,8,11-tetraoxa-15-azatricyclo[10.8.0.014,19]icosa-1(12),13,16,19-tetraen-18-one
Basic Information
CAS
1355620-88-0
Multi CAS
No
Molecular Formula
C15H17NO5
Molecular Weight
291.300000
Exact Mass
291.110673
SMILES
C1COCCOC2=C(C=C3C(=O)C=CNC3=C2)OCCO1
InChI
InChI=1S/C15H17NO5/c17-13-1-2-16-12-10-15-14(9-11(12)13)20-7-5-18-3-4-19-6-8-21-15/h1-2,9-10H,3-8H2,(H,16,17)
InChIKey
ZCMWZZBZYPCAKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
77.2
TPSA
69.78
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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