![CAS 1092840-71-5 [3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092840-71-5.gif)
CAS RN: 1092840-71-5
[3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl]boronic acid
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-010525
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1092840-71-5 / [3-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
(3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl)boronic acid | MFCD32670132 | (3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl)boronicacid
Basic Information
CAS
1092840-71-5
Multi CAS
No
Molecular Formula
C21H19BO2
Molecular Weight
314.200000
Exact Mass
314.147810
SMILES
B(C1=CC(=CC=C1)C2=CC3=C(C=C2)C4=CC=CC=C4C3(C)C)(O)O
InChI
InChI=1S/C21H19BO2/c1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(12-14)22(23)24/h3-13,23-24H,1-2H3
InChIKey
UZCSDKIJFMZZDM-UHFFFAOYSA-N
Synonyms
(3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl)boronic acid
MFCD32670132
(3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl)boronicacid
[3-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
[3-(9,9-dimethyl-9H-fluoren-2-yl)phenyl]boronic acid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.27
TPSA
40.46
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
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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![CAS 1092939-16-6 (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile sulfate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092939-16-6.gif)