Bilirubin Di-acyl-b-D-glucuronide
TL;DR: Bilirubin Di-acyl-b-D-glucuronide (CAS 17459-92-6) is a chemical compound with molecular formula C45H52N4O18 and molecular weight 936.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-[2-[[3-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-oxopropyl]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: bilirubin diglucuronide, Bilirubin Di-acyl-b-D-glucuronide, 6-[3-[2-[[3-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-oxopropyl]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C45H52N4O18 |
|---|---|
| Molecular Weight | 936.33 g/mol |
| LogP | -0.76716 |
| Topological Polar Surface Area | 356.82 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 936.32764 |
| Heavy Atoms | 67 |
| Complexity | 2526.5164 |
Chemical Identifiers
| CAS Number | 17459-92-6 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C=C6C(=C(C(=O)N6)C=C)C |
Product Overview
Bilirubin Di-acyl-b-D-glucuronide (CAS 17459-92-6), with molecular formula C45H52N4O18 and molecular weight 936.33 g/mol. IUPAC: 6-[3-[2-[[3-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-oxopropyl]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-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 Di-acyl-b-D-glucuronide
Property Insights of Bilirubin Di-acyl-b-D-glucuronide
The XLogP value of -0.76716 indicates that Bilirubin Di-acyl-b-D-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 356.82 Ų indicates high polarity, suggesting Bilirubin Di-acyl-b-D-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin Di-acyl-b-D-glucuronide has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bilirubin Di-acyl-b-D-glucuronide?
The CAS number of Bilirubin Di-acyl-b-D-glucuronide is 17459-92-6.
What is the molecular formula of Bilirubin Di-acyl-b-D-glucuronide?
The molecular formula of Bilirubin Di-acyl-b-D-glucuronide is C45H52N4O18.
What is the molecular weight of Bilirubin Di-acyl-b-D-glucuronide?
The molecular weight of Bilirubin Di-acyl-b-D-glucuronide is 936.33 g/mol.
Where can I buy Bilirubin Di-acyl-b-D-glucuronide?
You can request a quote for Bilirubin Di-acyl-b-D-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin Di-acyl-b-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin Di-acyl-b-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.