[email protected]
CAS 1449144-86-8 (3-FLUORO-4-(4-OXOPIPERIDIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1449144-86-8

(3-FLUORO-4-(4-OXOPIPERIDIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1449144-86-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1449144-86-8 / 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-one

Standard CAS: 1449144-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449144-86-8
Multi CAS
No
Molecular Formula
C17H23BFNO3
Molecular Weight
319.200000
Exact Mass
319.175502
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCC(=O)CC3)F
InChI
InChI=1S/C17H23BFNO3/c1-16(2)17(3,4)23-18(22-16)12-5-6-15(14(19)11-12)20-9-7-13(21)8-10-20/h5-6,11H,7-10H2,1-4H3
InChIKey
FHDDBZKNBFPROU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
88.57
TPSA
38.77

LogP / Solubility

WLOGP
2.29
MLOGP
2.03
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us