[email protected]
CAS 850568-21-7 4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID molecular structure lightbox
CAS RN: 850568-21-7

4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS850568-21-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

850568-21-7 / [4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid

Standard CAS: 850568-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850568-21-7
Multi CAS
No
Molecular Formula
BC13H18NO3
Molecular Weight
247.100000
Exact Mass
247.137974
InChI
InChI=1S/C13H18BNO3/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)14(17)18/h2-5,10,17-18H,6-9H2,1H3
InChIKey
YPAMJFMJEPYVFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.57
TPSA
60.77

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-4.06

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