![CAS 400607-47-8 (10-([1,1′-Biphenyl]-4-yl)anthracen-9-yl)boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/400607-47-8.png)
CAS RN: 400607-47-8
(10-([1,1′-Biphenyl]-4-yl)anthracen-9-yl)boronic 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.20251022 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB897611
400607-47-8 / [10-(4-phenylphenyl)anthracen-9-yl]boronic acid
Basic Information
CAS
400607-47-8
Multi CAS
No
Molecular Formula
BC26H19O2
Molecular Weight
374.200000
Exact Mass
374.147810
InChI
InChI=1S/C26H19BO2/c28-27(29)26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17,28-29H
InChIKey
QIOZCMIWAVEQPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
26
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
122.15
TPSA
40.46
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
1,4-Dichloro-2,5-difluorobenzene
- CAS RN: 400-05-5
- Product Code: starshine_CAS400-05-5
- Purity/Analytical method: >99.0%
-
-
-
Isopropyl Trifluoroacetate
- CAS RN: 400-38-4
- Product Code: ICTT1761
- Purity/Analytical method: >98.0%(GC)
-
