CAS RN: 850568-78-4
3-(PROPOXYCARBONYL)PHENYLBORONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei | 5-7 business days | Inquiry |
- Product code: starshine_CAS850568-78-4
- Purity/Analytical Methods: >99.0%
850568-78-4 / (3-propoxycarbonylphenyl)boronic acid
Basic Information
CAS
850568-78-4
Multi CAS
Yes
Molecular Formula
BC10H13O4
Molecular Weight
208.020000
Exact Mass
208.090689
InChI
InChI=1S/C10H13BO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7,13-14H,2,6H2,1H3
InChIKey
BSCFVVVAJINDLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.84
TPSA
66.76
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.07
Consensus LogP
-0.07
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-4.04
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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