CAS RN: 845797-74-2
(4-Cyclobutylphenyl)boronic 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250325 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS845797-74-2
- Purity/Analytical Methods: >99.0%
845797-74-2 / (4-cyclobutylphenyl)boronic acid
Basic Information
CAS
845797-74-2
Multi CAS
No
Molecular Formula
BC10H13O2
Molecular Weight
176.020000
Exact Mass
176.100860
InChI
InChI=1S/C10H13BO2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h4-8,12-13H,1-3H2
InChIKey
WVCDYFJLBAMQSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.86
TPSA
40.46
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
0.63
Consensus LogP
0.6
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YL)-ACETIC ACID
- CAS RN: 845808-92-6
- Product Code: SSC-192123
-
1-aminocyclobutanecarbonitrile hydrochloride
- CAS RN: 845821-84-3
- Product Code: SSC-192125
-
3-CHLORO-5-FLUOROTHIOPHENOL
- CAS RN: 845823-02-1
- Product Code: starshine_CAS845823-02-1
- Purity/Analytical method: >99.0%
-
-
3′-CHLORO-2,2,2,5′-TETRAFLUOROACETOPHENONE
- CAS RN: 845823-07-6
- Product Code: starshine_CAS845823-07-6
- Purity/Analytical method: >99.0%
-
