碘托酸
TL;DR: 碘托酸 (CAS 51022-74-3) is a chemical compound with molecular formula C22H18I6N2O9 and molecular weight 1215.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘托酸
3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
Also Known As: iotroxic acid, Biliscopin, Acido iotroxico, Acide iotroxique, Acidum iotroxicum
| Molecular Formula | C22H18I6N2O9 |
|---|---|
| Molecular Weight | 1215.53 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 1215.5281 |
| Heavy Atoms | 39 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 51022-74-3 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I |
| InChIKey | JXMIBUGMYLQZGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘托酸 (CAS 51022-74-3), with molecular formula C22H18I6N2O9 and molecular weight 1215.53 g/mol. IUPAC: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 碘托酸
Property Insights of 碘托酸
The XLogP value of 4.5 indicates that 碘托葡甲胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 碘托酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 碘托葡甲胺 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 碘托葡甲胺?
The CAS number of 碘托葡甲胺 is 51022-74-3.
What is the molecular formula of 碘托葡甲胺?
The molecular formula of 碘托葡甲胺 is C22H18I6N2O9.
What is the molecular weight of 碘托葡甲胺?
The molecular weight of 碘托葡甲胺 is 1215.53 g/mol.
Where can I buy 碘托葡甲胺?
You can request a quote for 碘托葡甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘托葡甲胺?
Yes, KEHONG BIO provides custom synthesis services for 碘托葡甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.