[email protected]
CAS 116027-10-2 6-IODOISATOIC ANHYDRIDE molecular structure lightbox
CAS RN: 116027-10-2

6-IODOISATOIC ANHYDRIDE

  • Product code: SSC-016110
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: ≥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 116027-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

116027-10-2 / 6-iodo-1H-3,1-benzoxazine-2,4-dione

6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione | JHQFCSRQZPCIHR-UHFFFAOYSA- | DTXSID40303860

Standard CAS: 116027-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116027-10-2
Multi CAS
Yes
Molecular Formula
C8H4INO3
Molecular Weight
289.030000
Exact Mass
288.923590
SMILES
C1=CC2=C(C=C1I)C(=O)OC(=O)N2
InChI
InChI=1S/C8H4INO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChIKey
JHQFCSRQZPCIHR-UHFFFAOYSA-N
Synonyms
6-iodo-2H-3,1-benzoxazine-2,4(1H)-dione JHQFCSRQZPCIHR-UHFFFAOYSA- DTXSID40303860 RefChem:308640 DTXCID70254992

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.82
TPSA
63.07

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
1.7
Consensus LogP
1.25
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

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