![CAS 871830-02-3 [4-(cyclopentyloxy)phenyl]boronic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871830-02-3.gif)
CAS RN: 871830-02-3
[4-(cyclopentyloxy)phenyl]boronic Acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-196856
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 | Beijing | Inquiry |
871830-02-3 / (4-cyclopentyloxyphenyl)boronic acid
Basic Information
CAS
871830-02-3
Multi CAS
No
Molecular Formula
BC11H15O3
Molecular Weight
206.050000
Exact Mass
206.111425
InChI
InChI=1S/C11H15BO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10,13-14H,1-4H2
InChIKey
AAMPOFTVRYFQCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.15
TPSA
49.69
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
0.69
Consensus LogP
0.66
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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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