Bilirubin glucoside
TL;DR: Bilirubin glucoside (CAS 36570-68-0) is a chemical compound with molecular formula C39H46N4O11 and molecular weight 746.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: Bilirubin glucoside, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 21H,23H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, mono-beta-D-glucopyranosyl ester
| Molecular Formula | C39H46N4O11 |
|---|---|
| Molecular Weight | 746.32 g/mol |
| LogP | 1.78974 |
| Topological Polar Surface Area | 243.53 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 746.3163 |
| Heavy Atoms | 54 |
| Complexity | 2027.5486 |
Chemical Identifiers
| CAS Number | 36570-68-0 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)O)O)O)O)/C=C\5/C(=C(C(=O)N5)C=C)C |
Product Overview
Bilirubin glucoside (CAS 36570-68-0), with molecular formula C39H46N4O11 and molecular weight 746.32 g/mol. IUPAC: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of Bilirubin glucoside
Property Insights of Bilirubin glucoside
The XLogP value of 1.78974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bilirubin glucoside. The TPSA of 243.53 Ų indicates high polarity, suggesting Bilirubin glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin glucoside has 9 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 Bilirubin glucoside?
The CAS number of Bilirubin glucoside is 36570-68-0.
What is the molecular formula of Bilirubin glucoside?
The molecular formula of Bilirubin glucoside is C39H46N4O11.
What is the molecular weight of Bilirubin glucoside?
The molecular weight of Bilirubin glucoside is 746.32 g/mol.
Where can I buy Bilirubin glucoside?
You can request a quote for Bilirubin glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin glucoside?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.