(4S,10Z,16R)-phycourobilin
TL;DR: (4S,10Z,16R)-phycourobilin (CAS 61932-71-6) is a chemical compound with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid
Also Known As: Phycourobilin, UROBILIN, (4S,10Z,16R)-phycourobilin, 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid, (4S,10Z,16R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid
| Molecular Formula | C33H42N4O6 |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 4.69952 |
| Topological Polar Surface Area | 160.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 590.3104 |
| Heavy Atoms | 43 |
| Complexity | 1533.7946 |
Chemical Identifiers
| CAS Number | 61932-71-6 |
|---|---|
| SMILES | CCC1=C(C(=O)N[C@H]1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C |
Product Overview
(4S,10Z,16R)-phycourobilin (CAS 61932-71-6), with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol. IUPAC: 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid.
Chemical Property Profile of (4S,10Z,16R)-phycourobilin
Property Insights of (4S,10Z,16R)-phycourobilin
The XLogP value of 4.69952 indicates that (4S,10Z,16R)-phycourobilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.95 Ų indicates high polarity, suggesting (4S,10Z,16R)-phycourobilin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4S,10Z,16R)-phycourobilin has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4S,10Z,16R)-phycourobilin?
The CAS number of (4S,10Z,16R)-phycourobilin is 61932-71-6.
What is the molecular formula of (4S,10Z,16R)-phycourobilin?
The molecular formula of (4S,10Z,16R)-phycourobilin is C33H42N4O6.
What is the molecular weight of (4S,10Z,16R)-phycourobilin?
The molecular weight of (4S,10Z,16R)-phycourobilin is 590.31 g/mol.
Where can I buy (4S,10Z,16R)-phycourobilin?
You can request a quote for (4S,10Z,16R)-phycourobilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,10Z,16R)-phycourobilin?
Yes, KEHONG BIO provides custom synthesis services for (4S,10Z,16R)-phycourobilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.