I-Urobilin
TL;DR: I-Urobilin (CAS 34159-78-9) 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-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid
Also Known As: I-Urobilin, UROBILIN, Urobilin IXa, Urobilin-IXalpha, (-)-Urobilin
| 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 | 34159-78-9 |
|---|---|
| SMILES | CCC1=C(C(=O)NC1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C |
Product Overview
I-Urobilin (CAS 34159-78-9), with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol. IUPAC: 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid.
Chemical Property Profile of I-Urobilin
Property Insights of I-Urobilin
The XLogP value of 4.69952 indicates that I-Urobilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.95 Ų indicates high polarity, suggesting I-Urobilin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I-Urobilin 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 I-Urobilin?
The CAS number of I-Urobilin is 34159-78-9.
What is the molecular formula of I-Urobilin?
The molecular formula of I-Urobilin is C33H42N4O6.
What is the molecular weight of I-Urobilin?
The molecular weight of I-Urobilin is 590.31 g/mol.
Where can I buy I-Urobilin?
You can request a quote for I-Urobilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I-Urobilin?
Yes, KEHONG BIO provides custom synthesis services for I-Urobilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.