![CAS 1627916-48-6 “2-(10-Phenyl-9-anthracenyl)benzo[b]-naphtho[2,3-d]furan” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1627916-48-6.gif)
CAS RN: 1627916-48-6
“2-(10-Phenyl-9-anthracenyl)benzo[b]-naphtho[2,3-d]furan”
- Product code: SSC-070171
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 |
1627916-48-6 / 2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
Basic Information
CAS
1627916-48-6
Multi CAS
No
Molecular Formula
C36H22O
Molecular Weight
470.600000
Exact Mass
470.167065
SMILES
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)OC7=CC8=CC=CC=C8C=C76
InChI
InChI=1S/C36H22O/c1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-22H
InChIKey
DFRPRIUFLDNBKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
37
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
157.11
TPSA
13.14
LogP / Solubility
WLOGP
10.38
MLOGP
9.17
XLogP3
10.3
Consensus LogP
9.95
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-10.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.78
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
6.5
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