[email protected]
CAS 587871-47-4 tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-ylcarbamate molecular structure lightbox
CAS RN: 587871-47-4

tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-ylcarbamate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 100mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS587871-47-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

587871-47-4 / tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-yl]carbamate

Standard CAS: 587871-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
587871-47-4
Multi CAS
No
Molecular Formula
BC24H30NO4S
Molecular Weight
439.400000
Exact Mass
439.198860
InChI
InChI=1S/C24H30BNO4S/c1-22(2,3)28-21(27)26-17-11-12-19-16(14-17)13-15-9-8-10-18(20(15)31-19)25-29-23(4,5)24(6,7)30-25/h8-12,14H,13H2,1-7H3,(H,26,27)
InChIKey
JFTIJPRKUGEPTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.39
TPSA
56.79

LogP / Solubility

WLOGP
5.39
MLOGP
4.77
XLogP3
5.39
Consensus LogP
5.18
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us