RefChem:331235
TL;DR: RefChem:331235 (CAS 19080-47-8) is a chemical compound with molecular formula C21H32I3N3O10 and molecular weight 866.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate
Also Known As: Butyric acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1), METHYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AZANIUM;2-[2,4,6-TRIIODO-3,5-BIS(METHYLCARBAMOYL)PHENOXY]BUTANOATE, BUTYRIC ACID, 2-(3,5-BIS(METHYLCARBAMOYL)-2,4,6-TRIIODOPHENOXY)-, compd. with 1-, methyl(2,3,4,5,6-pentahydroxyhexyl)azanium; 2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate, RefChem:331235
| Molecular Formula | C21H32I3N3O10 |
|---|---|
| Molecular Weight | 866.92 g/mol |
| LogP | -3.26 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 866.9222 |
| Heavy Atoms | 37 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 19080-47-8 |
|---|---|
| SMILES | CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O |
| InChIKey | DYKAWQNMRVUWTQ-UHFFFAOYSA-N |
Product Overview
RefChem:331235 (CAS 19080-47-8), with molecular formula C21H32I3N3O10 and molecular weight 866.92 g/mol. IUPAC: methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate.
Chemical Property Profile of RefChem:331235
Property Insights of RefChem:331235
The XLogP value of -3.26 indicates that RefChem:331235 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:331235 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331235 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:331235?
The CAS number of RefChem:331235 is 19080-47-8.
What is the molecular formula of RefChem:331235?
The molecular formula of RefChem:331235 is C21H32I3N3O10.
What is the molecular weight of RefChem:331235?
The molecular weight of RefChem:331235 is 866.92 g/mol.
Where can I buy RefChem:331235?
You can request a quote for RefChem:331235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331235?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.