[email protected]
CAS 66108-95-0 Iohexol (mixture of isomers) molecular structure lightbox
CAS RN: 66108-95-0

Iohexol (mixture of isomers)

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250729 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250903 25g In stock Shanghai Inquiry
Batchno.20250709 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 1g In stock Inquiry
Batchno.20260112 250mg In stock Inquiry
Batchno.20250801 50mg In stock Inquiry
  • Product code: SSC-175760
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: ≥98%
  • 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 66108-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

66108-95-0 / 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Standard CAS: 66108-95-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66108-95-0
Multi CAS
Yes
Molecular Formula
C19H26I3N3O9
Molecular Weight
821.100000
Exact Mass
820.880300
InChI
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
InChIKey
NTHXOOBQLCIOLC-UHFFFAOYSA-N

Physical Properties

Melting Point
174-180 °C 174 - 180 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
8
Molar refractivity
146.56
TPSA
199.89

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.36
XLogP3
-3
Consensus LogP
-2
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us