RefChem:465541
TL;DR: RefChem:465541 (CAS 67892-87-9) is a chemical compound with molecular formula C33H58N3O20P and molecular weight 847.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1,3-dione;1,6-diisocyanatohexane;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol;phosphoric acid
Also Known As: Hexanedioic acid, polymer with 1,6-diisocyanatohexane, 1,2-ethanediol, 1,3-isobenzofurandione, 2,2'-(methylimino)bis[ethanol] and 2,2'-oxybis[ethanol], phosphate (salt), (C8-H12-N2-O2.C8-H4-O3.C6-H10-O4.C5-H13-N-O2.C4-H10-O3.C2-H6-O2)x-.x-H3-O4-P, 2-benzofuran-1,3-dione; 1,6-diisocyanatohexane; ethane-1,2-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; 2-[2-hydroxyethyl(methyl)amino]ethanol; phosphoric acid, 2-benzofuran-1,3-dione;1,6-diisocyanatohexane;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethyl(methyl)amino)ethanol;phosphoric acid, 2-benzofuran-1,3-dione;1,6-diisocyanatohexane;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol;phosphoric acid
| Molecular Formula | C33H58N3O20P |
|---|---|
| Molecular Weight | 847.34 g/mol |
| LogP | -1.1356 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Exact Mass | 847.33514 |
| Heavy Atoms | 57 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 67892-87-9 |
|---|---|
| SMILES | CN(CCO)CCO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCN=C=O)CCN=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O.C(COCCO)O.OP(=O)(O)O |
| InChIKey | IDDCWEPVANHFIJ-UHFFFAOYSA-N |
Product Overview
RefChem:465541 (CAS 67892-87-9), with molecular formula C33H58N3O20P and molecular weight 847.34 g/mol. IUPAC: 2-benzofuran-1,3-dione;1,6-diisocyanatohexane;ethane-1,2-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol;phosphoric acid.
Chemical Property Profile of RefChem:465541
Property Insights of RefChem:465541
The XLogP value of -1.1356 indicates that RefChem:465541 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.0 Ų indicates high polarity, suggesting RefChem:465541 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465541 has 11 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465541?
The CAS number of RefChem:465541 is 67892-87-9.
What is the molecular formula of RefChem:465541?
The molecular formula of RefChem:465541 is C33H58N3O20P.
What is the molecular weight of RefChem:465541?
The molecular weight of RefChem:465541 is 847.34 g/mol.
Where can I buy RefChem:465541?
You can request a quote for RefChem:465541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465541?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.