![CAS 1246940-13-5 boronic acid-(7,7-dimethyl-7H-benzo[c]fluoren-5-yl) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246940-13-5.gif)
CAS RN: 1246940-13-5
boronic acid-(7,7-dimethyl-7H-benzo[c]fluoren-5-yl)
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.20251012 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1246940-13-5
- Purity/Analytical Methods: >99.0%
1246940-13-5 / (7,7-dimethylbenzo[c]fluoren-5-yl)boronic acid
Basic Information
CAS
1246940-13-5
Multi CAS
No
Molecular Formula
C19H17BO2
Molecular Weight
288.100000
Exact Mass
288.132160
SMILES
B(C1=CC2=C(C3=CC=CC=C13)C4=CC=CC=C4C2(C)C)(O)O
InChI
InChI=1S/C19H17BO2/c1-19(2)15-10-6-5-9-14(15)18-13-8-4-3-7-12(13)17(20(21)22)11-16(18)19/h3-11,21-22H,1-2H3
InChIKey
GZOLLZQYAWWSKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.34
TPSA
40.46
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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
3
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