Bilirubin xyloside
TL;DR: Bilirubin xyloside (CAS 36570-69-1) is a chemical compound with molecular formula C38H44N4O10 and molecular weight 716.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: Bilirubin xyloside, 3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 21H-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-xylopyranosyl ester
| Molecular Formula | C38H44N4O10 |
|---|---|
| Molecular Weight | 716.31 g/mol |
| LogP | 2.42884 |
| Topological Polar Surface Area | 223.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 716.3057 |
| Heavy Atoms | 52 |
| Complexity | 1973.2122 |
Chemical Identifiers
| CAS Number | 36570-69-1 |
|---|---|
| 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)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)/C=C/5\C(=C(C(=O)N5)C)C=C |
Product Overview
Bilirubin xyloside (CAS 36570-69-1), with molecular formula C38H44N4O10 and molecular weight 716.31 g/mol. IUPAC: 3-[5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of Bilirubin xyloside
Property Insights of Bilirubin xyloside
The XLogP value of 2.42884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bilirubin xyloside. The TPSA of 223.3 Ų indicates high polarity, suggesting Bilirubin xyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin xyloside has 8 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 Bilirubin xyloside?
The CAS number of Bilirubin xyloside is 36570-69-1.
What is the molecular formula of Bilirubin xyloside?
The molecular formula of Bilirubin xyloside is C38H44N4O10.
What is the molecular weight of Bilirubin xyloside?
The molecular weight of Bilirubin xyloside is 716.31 g/mol.
Where can I buy Bilirubin xyloside?
You can request a quote for Bilirubin xyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin xyloside?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin xyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.