![CAS 191-28-6 Xantheno[2,1,9,8-klmna]xanthene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/x0083-jpgcontextbwfzdgvyfhjvb3r8mjm3oth8aw1hz2uvanblz3xomjivadmylzkzmdq3otg1njayodyvwdawodmuanbnfgm5ntrmntyznwizytbmnzljnza4zjg5nwnjyzi1owy3otvhotk4owvjndu0ztc2mzi5zjk1mdu2otkwyzc0ywy.jpeg)
CAS RN: 191-28-6
Xantheno[2,1,9,8-klmna]xanthene
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: SSC-089522
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 | Shenzhen | Inquiry |
191-28-6 / 12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
Basic Information
CAS
191-28-6
Multi CAS
No
Molecular Formula
C20H10O2
Molecular Weight
282.300000
Exact Mass
282.068080
SMILES
C1=CC2=C3C(=C1)OC4=C5C3=C(C=C2)OC6=CC=CC(=C65)C=C4
InChI
InChI=1S/C20H10O2/c1-3-11-7-9-16-19-17(11)13(5-1)21-15-10-8-12-4-2-6-14(22-16)18(12)20(15)19/h1-10H
InChIKey
AMDQVKPUZIXQFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
22
H-bond acceptors
2
Molar refractivity
88.81
TPSA
26.28
LogP / Solubility
WLOGP
6.03
MLOGP
5.31
XLogP3
5.3
Consensus LogP
5.55
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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