RefChem:331234
TL;DR: RefChem:331234 (CAS 19080-54-7) 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.
2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Also Known As: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium, Butyric acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1), BUTYRIC ACID, 2-(3,5-BIS(ETHYLCARBAMOYL)-2,4,6-TRIIODOPHENOXY)-, compd. with 1-D, 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate; methyl(2,3,4,5,6-pentahydroxyhexyl)azanium, RefChem:331234
| Molecular Formula | C23H36I3N3O10 |
|---|---|
| Molecular Weight | 894.95 g/mol |
| LogP | -2.48 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 894.9535 |
| Heavy Atoms | 39 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 19080-54-7 |
|---|---|
| SMILES | CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NCC)I)C(=O)NCC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O |
| InChIKey | PIDWLOWMFNWXGZ-UHFFFAOYSA-N |
Product Overview
RefChem:331234 (CAS 19080-54-7), with molecular formula C23H36I3N3O10 and molecular weight 894.95 g/mol. IUPAC: 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium.
Chemical Property Profile of RefChem:331234
Property Insights of RefChem:331234
The XLogP value of -2.48 indicates that RefChem:331234 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting RefChem:331234 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331234 has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331234?
The CAS number of RefChem:331234 is 19080-54-7.
What is the molecular formula of RefChem:331234?
The molecular formula of RefChem:331234 is C23H36I3N3O10.
What is the molecular weight of RefChem:331234?
The molecular weight of RefChem:331234 is 894.95 g/mol.
Where can I buy RefChem:331234?
You can request a quote for RefChem:331234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331234?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.