![CAS 1416620-13-7 Benzo[b]naphtho[2,1-d]furan, 9-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416620-13-7.gif)
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 |
1416620-13-7 / 9-chloronaphtho[1,2-b][1]benzofuran
Basic Information
CAS
1416620-13-7
Multi CAS
No
Molecular Formula
C16H9ClO
Molecular Weight
252.690000
Exact Mass
252.034193
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC4=C3C=CC(=C4)Cl
InChI
InChI=1S/C16H9ClO/c17-11-6-8-13-14-7-5-10-3-1-2-4-12(10)16(14)18-15(13)9-11/h1-9H
InChIKey
QYBMPDUADJFPKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
H-bond acceptors
1
Molar refractivity
76.24
TPSA
13.14
LogP / Solubility
WLOGP
5.39
MLOGP
4.75
XLogP3
5.5
Consensus LogP
5.21
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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