[email protected]
CAS 409108-13-0 3-FLUORO-4-BIPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 409108-13-0

3-FLUORO-4-BIPHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251204 100mg In stock Shanghai Inquiry
Batchno.20250715 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260208 1g Out of stock Inquiry
Batchno.20260318 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS409108-13-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

409108-13-0 / (2-fluoro-4-phenylphenyl)boronic acid

Standard CAS: 409108-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
409108-13-0
Multi CAS
No
Molecular Formula
BC12FH10O2
Molecular Weight
216.020000
Exact Mass
216.075788
InChI
InChI=1S/C12H10BFO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,15-16H
InChIKey
JUHFAPMMWMSLKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.66
TPSA
40.46

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us