Bilirubin-glucuronoside
TL;DR: Bilirubin-glucuronoside (CAS 27071-67-6) is a chemical compound with molecular formula C39H44N4O12 and molecular weight 760.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Bilirubin-glucuronoside, Bilirubin monoglucuronide, mono(glucosyluronic acid)bilirubin, (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C39H44N4O12 |
|---|---|
| Molecular Weight | 760.30 g/mol |
| LogP | 1.88204 |
| Topological Polar Surface Area | 260.6 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 760.2956 |
| Heavy Atoms | 55 |
| Complexity | 2112.0935 |
Chemical Identifiers
| CAS Number | 27071-67-6 |
|---|---|
| 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]([C@H](O4)C(=O)O)O)O)O)/C=C\5/C(=C(C(=O)N5)C=C)C |
Product Overview
Bilirubin-glucuronoside (CAS 27071-67-6), with molecular formula C39H44N4O12 and molecular weight 760.30 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Bilirubin-glucuronoside
Property Insights of Bilirubin-glucuronoside
The XLogP value of 1.88204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bilirubin-glucuronoside. The TPSA of 260.6 Ų indicates high polarity, suggesting Bilirubin-glucuronoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin-glucuronoside 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-glucuronoside?
The CAS number of Bilirubin-glucuronoside is 27071-67-6.
What is the molecular formula of Bilirubin-glucuronoside?
The molecular formula of Bilirubin-glucuronoside is C39H44N4O12.
What is the molecular weight of Bilirubin-glucuronoside?
The molecular weight of Bilirubin-glucuronoside is 760.30 g/mol.
Where can I buy Bilirubin-glucuronoside?
You can request a quote for Bilirubin-glucuronoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin-glucuronoside?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin-glucuronoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.