bilirubin
TL;DR: bilirubin (CAS 69853-44-7) is a chemical compound with molecular formula C33H36N4O6 and molecular weight 584.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: bilirubin, Bilirubin IXalpha, E,E-Bilirubin, (4E,15E)-Bilirubin, J1.176.970E
| Molecular Formula | C33H36N4O6 |
|---|---|
| Molecular Weight | 584.26 g/mol |
| LogP | 4.53124 |
| Topological Polar Surface Area | 164.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 584.2635 |
| Heavy Atoms | 43 |
| Complexity | 1705.9496 |
Chemical Identifiers
| CAS Number | 69853-44-7 |
|---|---|
| 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=C/4\C(=C(C(=O)N4)C=C)C |
Product Overview
bilirubin (CAS 69853-44-7), with molecular formula C33H36N4O6 and molecular weight 584.26 g/mol. IUPAC: 3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of bilirubin
Property Insights of bilirubin
The XLogP value of 4.53124 indicates that bilirubin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.38 Ų indicates high polarity, suggesting bilirubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, bilirubin has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of bilirubin?
The CAS number of bilirubin is 69853-44-7.
What is the molecular formula of bilirubin?
The molecular formula of bilirubin is C33H36N4O6.
What is the molecular weight of bilirubin?
The molecular weight of bilirubin is 584.26 g/mol.
Where can I buy bilirubin?
You can request a quote for bilirubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bilirubin?
Yes, KEHONG BIO provides custom synthesis services for bilirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.