[email protected]
CAS 55962-05-5 4-Methyl-N-(phenyl-λ3-iodaneylidene)benzenesulfonamide molecular structure lightbox
CAS RN: 55962-05-5

4-Methyl-N-(phenyl-λ3-iodaneylidene)benzenesulfonamide

  • Product code: SSC-163898
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: ≥95%
  • 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 55962-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

55962-05-5 / 4-methyl-N-(phenyl-lambda3-iodanylidene)benzenesulfonamide

Standard CAS: 55962-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55962-05-5
Multi CAS
Yes
Molecular Formula
C13H12InO2S
Molecular Weight
373.210000
Exact Mass
372.963350
InChI
InChI=1S/C13H12INO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
WECCHUKCGHQAQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
79.95
TPSA
46.5

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
4.4
Consensus LogP
3.8
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble

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)
-2.36

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