Taurobilirubin
TL;DR: Taurobilirubin (CAS 39084-19-0) 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-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
Also Known As: Taurobilirubin, 2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid, 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-, 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-propanediy l)imino]]bis-
| Molecular Formula | C37H46N6O10S2 |
|---|---|
| Molecular Weight | 798.27 g/mol |
| LogP | 2.21552 |
| Topological Polar Surface Area | 253.29 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 798.27167 |
| Heavy Atoms | 55 |
| Complexity | 2253.1494 |
Chemical Identifiers
| CAS Number | 39084-19-0 |
|---|---|
| SMILES | CC1=C(C(N=C1/C=C/2\C(=C(C(=O)N2)C)C=C)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O |
Product Overview
Taurobilirubin (CAS 39084-19-0), with molecular formula C37H46N6O10S2 and molecular weight 798.27 g/mol. IUPAC: 2-[3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid.
Chemical Property Profile of Taurobilirubin
Property Insights of Taurobilirubin
The XLogP value of 2.21552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taurobilirubin. The TPSA of 253.29 Ų indicates high polarity, suggesting Taurobilirubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taurobilirubin has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taurobilirubin?
The CAS number of Taurobilirubin is 39084-19-0.
What is the molecular formula of Taurobilirubin?
The molecular formula of Taurobilirubin is C37H46N6O10S2.
What is the molecular weight of Taurobilirubin?
The molecular weight of Taurobilirubin is 798.27 g/mol.
Where can I buy Taurobilirubin?
You can request a quote for Taurobilirubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taurobilirubin?
Yes, KEHONG BIO provides custom synthesis services for Taurobilirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.