[email protected]
CAS 1254118-57-4 (3-fluoro-4-(3-fluoropropoxy)phenyl)boronic acid molecular structure lightbox
CAS RN: 1254118-57-4

(3-fluoro-4-(3-fluoropropoxy)phenyl)boronic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1254118-57-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1254118-57-4 / [3-fluoro-4-(3-fluoropropoxy)phenyl]boronic acid

Standard CAS: 1254118-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1254118-57-4
Multi CAS
No
Molecular Formula
C9H11BF2O3
Molecular Weight
215.990000
Exact Mass
216.076931
SMILES
B(C1=CC(=C(C=C1)OCCCF)F)(O)O
InChI
InChI=1S/C9H11BF2O3/c11-4-1-5-15-9-3-2-7(10(13)14)6-8(9)12/h2-3,6,13-14H,1,4-5H2
InChIKey
OJYQCEOUFIWWFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.31
TPSA
49.69

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-3.86

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