[email protected]
CAS 856678-58-5 7-IODOBENZOFURAN-5-SULFONYL CHLORIDE, 97%(HPLC) molecular structure lightbox
CAS RN: 856678-58-5

7-IODOBENZOFURAN-5-SULFONYL CHLORIDE, 97%(HPLC)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINI926486
GET A QUOTE

856678-58-5 / 7-iodo-1-benzofuran-5-sulfonyl chloride

Standard CAS: 856678-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856678-58-5
Multi CAS
No
Molecular Formula
C9H4LiO3S
Molecular Weight
342.540000
Exact Mass
341.861440
InChI
InChI=1S/C8H4ClIO3S/c9-14(11,12)6-3-5-1-2-13-8(5)7(10)4-6/h1-4H
InChIKey
JRNYAXAKWGEDMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.97
TPSA
47.28

LogP / Solubility

WLOGP
2.96
MLOGP
2.63
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us