CAS RN: 916336-19-1
9,9-Diheptylfluorene-2,7-diboronic 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.20250228 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS916336-19-1
- Purity/Analytical Methods: >99.0%
916336-19-1 / (7-borono-9,9-diheptylfluoren-2-yl)boronic acid
Basic Information
CAS
916336-19-1
Multi CAS
No
Molecular Formula
B2C27H40O4
Molecular Weight
450.200000
Exact Mass
450.311270
InChI
InChI=1S/C27H40B2O4/c1-3-5-7-9-11-17-27(18-12-10-8-6-4-2)25-19-21(28(30)31)13-15-23(25)24-16-14-22(29(32)33)20-26(24)27/h13-16,19-20,30-33H,3-12,17-18H2,1-2H3
InChIKey
WXRULSQSPSECSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
139.06
TPSA
80.92
LogP / Solubility
WLOGP
4.03
MLOGP
3.58
XLogP3
4.03
Consensus LogP
3.88
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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