Mesobilirubin
TL;DR: Mesobilirubin (CAS 16568-56-2) is a chemical compound with molecular formula C33H40N4O6 and molecular weight 588.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: Mesobilirubin, Mesobilirubin IX alpha, 21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, 3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid, 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
| Molecular Formula | C33H40N4O6 |
|---|---|
| Molecular Weight | 588.29 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 588.2948 |
| Heavy Atoms | 43 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 16568-56-2 |
|---|---|
| SMILES | CCC1=C(C(=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)CC)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C |
| InChIKey | HVHKMUMXERBUAN-UHFFFAOYSA-N |
Product Overview
Mesobilirubin (CAS 16568-56-2), with molecular formula C33H40N4O6 and molecular weight 588.29 g/mol. IUPAC: 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid.
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
Frequently Asked Questions
What is the CAS number of Mesobilirubin?
The CAS number of Mesobilirubin is 16568-56-2.
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 588.29 g/mol.
Where can I buy Mesobilirubin?
You can request a quote for Mesobilirubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesobilirubin?
Yes, KEHONG BIO provides custom synthesis services for Mesobilirubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.