![CAS 787591-35-9 (3-[2-(MORPHOLIN-4-YL)ETHOXY]PHENYL)BORANEDIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/787591-35-9.gif)
CAS RN: 787591-35-9
(3-[2-(MORPHOLIN-4-YL)ETHOXY]PHENYL)BORANEDIOL
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.20260426 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-188085
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 |
787591-35-9 / [3-(2-morpholin-4-ylethoxy)phenyl]boronic acid
Basic Information
CAS
787591-35-9
Multi CAS
No
Molecular Formula
BC12H18NO4
Molecular Weight
251.090000
Exact Mass
251.132888
InChI
InChI=1S/C12H18BNO4/c15-13(16)11-2-1-3-12(10-11)18-9-6-14-4-7-17-8-5-14/h1-3,10,15-16H,4-9H2
InChIKey
KUXSLEXAYSGYIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.02
TPSA
62.16
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE
- CAS RN: 787591-39-3
- Product Code: starshine_CAS787591-39-3
- Purity/Analytical method: >99.0%
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