RefChem:347657
TL;DR: RefChem:347657 (CAS 19080-49-0) is a chemical compound with molecular formula C23H36I3N3O10 and molecular weight 894.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
Also Known As: 6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid, Hexanoic acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1), HEXANOIC ACID, 2-(3,5-BIS(METHYLCARBAMOYL)-2,4,6-TRIIODOPHENOXY)-, compd. with 1, 2-{3,5-Bis[hydroxy(methylimino)methyl]-2,4,6-triiodophenoxy}hexanoic acid--1-deoxy-1-(methylamino)hexitol (1/1), 6-(methylamino)hexane-1,2,3,4,5-pentol; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid
| Molecular Formula | C23H36I3N3O10 |
|---|---|
| Molecular Weight | 894.95 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 894.9535 |
| Heavy Atoms | 39 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 19080-49-0 |
|---|---|
| SMILES | CCCCC(C(=O)O)OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | FBJUBOVRFALCHR-UHFFFAOYSA-N |
Product Overview
RefChem:347657 (CAS 19080-49-0), with molecular formula C23H36I3N3O10 and molecular weight 894.95 g/mol. IUPAC: 6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]hexanoic acid.
Chemical Property Profile of RefChem:347657
Property Insights of RefChem:347657
The XLogP value of -0.12 indicates that RefChem:347657 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:347657 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:347657 has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:347657?
The CAS number of RefChem:347657 is 19080-49-0.
What is the molecular formula of RefChem:347657?
The molecular formula of RefChem:347657 is C23H36I3N3O10.
What is the molecular weight of RefChem:347657?
The molecular weight of RefChem:347657 is 894.95 g/mol.
Where can I buy RefChem:347657?
You can request a quote for RefChem:347657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:347657?
Yes, KEHONG BIO provides custom synthesis services for RefChem:347657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.