[email protected]
CAS 850567-23-6 3-(Cyclopropylaminocarbonyl)phenylboronic acid molecular structure lightbox
CAS RN: 850567-23-6

3-(Cyclopropylaminocarbonyl)phenylboronic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS850567-23-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

850567-23-6 / [3-(cyclopropylcarbamoyl)phenyl]boronic acid

Standard CAS: 850567-23-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850567-23-6
Multi CAS
Yes
Molecular Formula
BC10H12NO3
Molecular Weight
205.020000
Exact Mass
205.091023
InChI
InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
InChIKey
ACYLEYDBPWXTIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.76
TPSA
69.56

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.65
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.5

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