[email protected]
CAS 2217-55-2 Bis(2,4-dinitrophenyl) Disulfide molecular structure lightbox
CAS RN: 2217-55-2

Bis(2,4-dinitrophenyl) Disulfide

  • Product code: SSC-106661
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: 1g
  • Available purity: ≥80%
  • 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 2217-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥80% 0 Out of Stock Shenzhen Inquiry

2217-55-2 / 1-[(2,4-dinitrophenyl)disulfanyl]-2,4-dinitrobenzene

Standard CAS: 2217-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2217-55-2
Multi CAS
No
Molecular Formula
C12H6N4O8S2
Molecular Weight
398.300000
Exact Mass
397.962706
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H6N4O8S2/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-26-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H
InChIKey
FZSBDDXXXSWEEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
91.22
TPSA
172.56

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
3
Consensus LogP
3.59
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us