![CAS 2173554-84-0 (8-chlorodibenzo[b,d]furan-1-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173554-84-0.png)
CAS RN: 2173554-84-0
(8-chlorodibenzo[b,d]furan-1-yl)boronic acid
- Product code: SSC-104876
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2173554-84-0 / (8-chlorodibenzofuran-1-yl)boronic acid
Basic Information
CAS
2173554-84-0
Multi CAS
No
Molecular Formula
C12H8BClO3
Molecular Weight
246.450000
Exact Mass
246.025502
SMILES
B(C1=C2C(=CC=C1)OC3=C2C=C(C=C3)Cl)(O)O
InChI
InChI=1S/C12H8BClO3/c14-7-4-5-10-8(6-7)12-9(13(15)16)2-1-3-11(12)17-10/h1-6,15-16H
InChIKey
BNDMNTXHMHALHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.56
TPSA
53.6
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.92
Consensus LogP
1.84
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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