Bilirubin ditaurine
TL;DR: Bilirubin ditaurine (CAS 93675-43-5) is a chemical compound with molecular formula C37H46N6O10S2 and molecular weight 798.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
Also Known As: Bilirubin ditaurate, Bilirubin ditaurine, Bis(taurobilirubin), BILIRUBINDITAURATE, bilirubin ditaurine, disodium salt
| Molecular Formula | C37H46N6O10S2 |
|---|---|
| Molecular Weight | 798.27 g/mol |
| LogP | 2.37004 |
| Topological Polar Surface Area | 256.72 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 798.27167 |
| Heavy Atoms | 55 |
| Complexity | 2144.1326 |
Chemical Identifiers
| CAS Number | 93675-43-5 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)NCCS(=O)(=O)O)CC2=C(C(=C(N2)/C=C/3\NC(=O)C(=C3C=C)C)C)CCC(=O)NCCS(=O)(=O)O)/C=C/4\NC(=O)C(=C4C=C)C |
Product Overview
Bilirubin ditaurine (CAS 93675-43-5), with molecular formula C37H46N6O10S2 and molecular weight 798.27 g/mol. IUPAC: 2-[3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid.
Chemical Property Profile of Bilirubin ditaurine
Property Insights of Bilirubin ditaurine
The XLogP value of 2.37004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bilirubin ditaurine. The TPSA of 256.72 Ų indicates high polarity, suggesting Bilirubin ditaurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin ditaurine has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bilirubin ditaurine?
The CAS number of Bilirubin ditaurine is 93675-43-5.
What is the molecular formula of Bilirubin ditaurine?
The molecular formula of Bilirubin ditaurine is C37H46N6O10S2.
What is the molecular weight of Bilirubin ditaurine?
The molecular weight of Bilirubin ditaurine is 798.27 g/mol.
Where can I buy Bilirubin ditaurine?
You can request a quote for Bilirubin ditaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin ditaurine?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin ditaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.