![CAS 2170644-12-7 1-chloronaphtho[2,3-b]benzofuran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170644-12-7.png)
CAS RN: 2170644-12-7
1-chloronaphtho[2,3-b]benzofuran
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2170644-12-7
- Purity/Analytical Methods: >99.0%
2170644-12-7 / 1-chloronaphtho[2,3-b][1]benzofuran
Basic Information
CAS
2170644-12-7
Multi CAS
No
Molecular Formula
C16H9ClO
Molecular Weight
252.690000
Exact Mass
252.034193
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=C(O3)C=CC=C4Cl
InChI
InChI=1S/C16H9ClO/c17-13-6-3-7-14-16(13)12-8-10-4-1-2-5-11(10)9-15(12)18-14/h1-9H
InChIKey
YNPIRTDONNKWJW-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
5.2
Consensus LogP
5.11
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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