[email protected]
CAS 26076-46-0 2,5-THIOPHENEDIBORONIC ACID molecular structure lightbox
CAS RN: 26076-46-0

2,5-THIOPHENEDIBORONIC ACID

  • Product code: SSC-122927
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26076-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

26076-46-0 / (5-boronothiophen-2-yl)boronic acid

Standard CAS: 26076-46-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
26076-46-0
Multi CAS
Yes
Molecular Formula
B2C4H6O4S
Molecular Weight
171.800000
Exact Mass
172.017290
InChI
InChI=1S/C4H6B2O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,7-10H
InChIKey
SKFDVFMUXZWWOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
43.97
TPSA
80.92

LogP / Solubility

WLOGP
-2.89
MLOGP
-2.55
XLogP3
-2.89
Consensus LogP
-2.78
Log S (ESOL)
0.71
Class (ESOL)
Highly soluble
Log S (Ali)
1.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.38
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us