[email protected]
CAS 1793003-65-2 4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic acid molecular structure lightbox
CAS RN: 1793003-65-2

4-(1-Cyano-1-methylethyl)-2-fluorophenylboronic 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.20260604 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260607 250mg Out of stock Inquiry
Batchno.20260625 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250415 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS1793003-65-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1793003-65-2 / [4-(2-cyanopropan-2-yl)-2-fluorophenyl]boronic acid

Standard CAS: 1793003-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1793003-65-2
Multi CAS
No
Molecular Formula
C10H11BFNO2
Molecular Weight
207.010000
Exact Mass
207.086687
SMILES
B(C1=C(C=C(C=C1)C(C)(C)C#N)F)(O)O
InChI
InChI=1S/C10H11BFNO2/c1-10(2,6-13)7-3-4-8(11(14)15)9(12)5-7/h3-5,14-15H,1-2H3
InChIKey
PYLDACORZHNYTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.86
TPSA
64.25

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.31
Consensus LogP
0.3
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.77

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