Bilirubin dimethyl ester
TL;DR: Bilirubin dimethyl ester (CAS 19792-68-8) is a chemical compound with molecular formula C35H40N4O6 and molecular weight 612.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
Also Known As: Bilirubin dimethyl ester, methyl 3-[2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoate, methyl 3-[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
| Molecular Formula | C35H40N4O6 |
|---|---|
| Molecular Weight | 612.29 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 612.2948 |
| Heavy Atoms | 45 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 19792-68-8 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC)C=C4C(=C(C(=O)N4)C=C)C |
| InChIKey | UWZUXDQSJUVVTL-UHFFFAOYSA-N |
Product Overview
Bilirubin dimethyl ester (CAS 19792-68-8), with molecular formula C35H40N4O6 and molecular weight 612.29 g/mol. IUPAC: methyl 3-[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate.
Chemical Property Profile of Bilirubin dimethyl ester
Property Insights of Bilirubin dimethyl ester
The XLogP value of 3.6 indicates that Bilirubin dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Bilirubin dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bilirubin dimethyl ester has 4 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 Bilirubin dimethyl ester?
The CAS number of Bilirubin dimethyl ester is 19792-68-8.
What is the molecular formula of Bilirubin dimethyl ester?
The molecular formula of Bilirubin dimethyl ester is C35H40N4O6.
What is the molecular weight of Bilirubin dimethyl ester?
The molecular weight of Bilirubin dimethyl ester is 612.29 g/mol.
Where can I buy Bilirubin dimethyl ester?
You can request a quote for Bilirubin dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bilirubin dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bilirubin dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.