![CAS 482627-95-2 [4-(BENZYLOXY)-3,5-DIMETHOXYPHENYL]BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7476301.gif)
CAS RN: 482627-95-2
[4-(BENZYLOXY)-3,5-DIMETHOXYPHENYL]BORONIC ACID
- Product code: SSC-155165
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 | Shenzhen | Inquiry |
482627-95-2 / (3,5-dimethoxy-4-phenylmethoxyphenyl)boronic acid
Basic Information
CAS
482627-95-2
Multi CAS
No
Molecular Formula
BC15H17O5
Molecular Weight
288.110000
Exact Mass
288.116904
InChI
InChI=1S/C15H17BO5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9,17-18H,10H2,1-2H3
InChIKey
YWLNSHVDTNNYKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
80.15
TPSA
68.15
LogP / Solubility
WLOGP
0.96
MLOGP
0.86
XLogP3
0.96
Consensus LogP
0.93
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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