CAS RN: 849062-20-0
4-(4′-PROPOXYPHENYL)PHENYLBORONIC ACID
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.20260128 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS849062-20-0
- Purity/Analytical Methods: >99.0%
849062-20-0 / [4-(4-propoxyphenyl)phenyl]boronic acid
Basic Information
CAS
849062-20-0
Multi CAS
No
Molecular Formula
BC15H17O3
Molecular Weight
256.110000
Exact Mass
256.127075
InChI
InChI=1S/C15H17BO3/c1-2-11-19-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17)18/h3-10,17-18H,2,11H2,1H3
InChIKey
ZJCHLFOLMBDUPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.49
TPSA
49.69
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.99
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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