Mesobilirubin
TL;DR: Mesobilirubin (CAS 165680-21-7) is a chemical compound with molecular formula C33H40N4O6 and molecular weight 588.2948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: Mesobilirubin, mesobilirubin IXalpha, phycocyanobilin, Mesobilirubin IX alpha, mesobilirubin-IXalpha
Technical Specifications
| Molecular Formula | C33H40N4O6 |
| Molecular Weight | 588.2948 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 588.2948 Da |
| Heavy Atoms | 43 |
| Complexity | 1280.0 |
| SMILES | CCC1=C(/C(=C/C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C |
| InChIKey | HVHKMUMXERBUAN-IFADSCNNSA-N |
Chemical Property Profile of Mesobilirubin
Property Insights of Mesobilirubin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesobilirubin. The TPSA of 164.0 Ų indicates high polarity, suggesting Mesobilirubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mesobilirubin has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mesobilirubin?
The CAS number of Mesobilirubin is 165680-21-7.
What is the molecular formula of Mesobilirubin?
The molecular formula of Mesobilirubin is C33H40N4O6.
What is the molecular weight of Mesobilirubin?
The molecular weight of Mesobilirubin is 588.2948 g/mol.
Where can I buy Mesobilirubin?
You can request a quote for Mesobilirubin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mesobilirubin?
Yes, CoreyChem provides custom synthesis services for Mesobilirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.