Hexamethylenetetramine, methiodide
TL;DR: Hexamethylenetetramine, methiodide (CAS 6058-49-7) is a chemical compound with molecular formula C28H21Cl2FN2O8 and molecular weight 602.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid
Also Known As: Hexamethylenetetramine, methiodide, DAP1_005308, 4-[6a,9a-Dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3,3a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydroisoindolo[5,6-e]isoindol-2(1H)-yl]-2-hydroxybenzoic acid
| Molecular Formula | C28H21Cl2FN2O8 |
|---|---|
| Molecular Weight | 602.07 g/mol |
| LogP | 3.1283 |
| Topological Polar Surface Area | 152.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 602.0659 |
| Heavy Atoms | 41 |
| Complexity | 1644.6112 |
Chemical Identifiers
| CAS Number | 6058-49-7 |
|---|---|
| SMILES | CN1C(=O)C2(CC3C4C(CC=C3C(C2(C1=O)Cl)C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)Cl |
Product Overview
Hexamethylenetetramine, methiodide (CAS 6058-49-7), with molecular formula C28H21Cl2FN2O8 and molecular weight 602.07 g/mol. IUPAC: 4-[6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid.
Chemical Property Profile of Hexamethylenetetramine, methiodide
Property Insights of Hexamethylenetetramine, methiodide
The XLogP value of 3.1283 indicates that Hexamethylenetetramine, methiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.52 Ų indicates high polarity, suggesting Hexamethylenetetramine, methiodide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexamethylenetetramine, methiodide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexamethylenetetramine, methiodide?
The CAS number of Hexamethylenetetramine, methiodide is 6058-49-7.
What is the molecular formula of Hexamethylenetetramine, methiodide?
The molecular formula of Hexamethylenetetramine, methiodide is C28H21Cl2FN2O8.
What is the molecular weight of Hexamethylenetetramine, methiodide?
The molecular weight of Hexamethylenetetramine, methiodide is 602.07 g/mol.
Where can I buy Hexamethylenetetramine, methiodide?
You can request a quote for Hexamethylenetetramine, methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylenetetramine, methiodide?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylenetetramine, methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.