RefChem:591760
TL;DR: RefChem:591760 (CAS 68683-34-1) is a chemical compound with molecular formula C37H44N6Na2O10S2 and molecular weight 842.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[3-[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfonatoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonate
Also Known As: Bilirubin Conjugate, Ditaurate, Disodium Salt, Ethanesulfonic acid, 2,2'-((2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis((1-oxo-3,1-propanediyl)imino))bis-, sodium salt (1:2), Ethanesulfonic acid, 2,2'-[(2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis[(1-oxo-3,1-propanediyl)imino]]bis-, disodium salt, Ethanesulfonic acid, 2,2'-[(2,17-diethenyl-1,10,11,19,22,23-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-diyl)bis[(1-oxo-3,1-propanediyl)imino]]bis-, sodium salt (1:2), RefChem:591760
| Molecular Formula | C37H44N6Na2O10S2 |
|---|---|
| Molecular Weight | 842.24 g/mol |
| LogP | -4.46168 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 842.2356 |
| Heavy Atoms | 57 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 68683-34-1 |
|---|---|
| SMILES | CC1=C(C(N=C1C=C2C(=C(C(=O)N2)C)C=C)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)NCCS(=O)(=O)[O-])CCC(=O)NCCS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PFLFIELXRARWPA-UHFFFAOYSA-L |
Product Overview
RefChem:591760 (CAS 68683-34-1), with molecular formula C37H44N6Na2O10S2 and molecular weight 842.24 g/mol. IUPAC: disodium;2-[3-[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfonatoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonate.
Chemical Property Profile of RefChem:591760
Property Insights of RefChem:591760
The XLogP value of -4.46168 indicates that RefChem:591760 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.0 Ų indicates high polarity, suggesting RefChem:591760 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:591760 has 5 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:591760?
The CAS number of RefChem:591760 is 68683-34-1.
What is the molecular formula of RefChem:591760?
The molecular formula of RefChem:591760 is C37H44N6Na2O10S2.
What is the molecular weight of RefChem:591760?
The molecular weight of RefChem:591760 is 842.24 g/mol.
Where can I buy RefChem:591760?
You can request a quote for RefChem:591760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591760?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.