D-Urobilinogen
TL;DR: D-Urobilinogen (CAS 17208-65-0) 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-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Also Known As: D-Urobilinogen, UROBILINOGEN, 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 21H-Biline-8,12-dipropanoicacid,2-ethenyl-17-ethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-,(4R,16R)-, 3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
| Molecular Formula | C33H42N4O6 |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 590.3104 |
| Heavy Atoms | 43 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 17208-65-0 |
|---|---|
| SMILES | CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C |
| InChIKey | KSQFFJKKJAEKTB-UHFFFAOYSA-N |
Product Overview
D-Urobilinogen (CAS 17208-65-0), with molecular formula C33H42N4O6 and molecular weight 590.31 g/mol. IUPAC: 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of D-Urobilinogen
Property Insights of D-Urobilinogen
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Urobilinogen. The TPSA of 164.0 Ų indicates high polarity, suggesting D-Urobilinogen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Urobilinogen 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 D-Urobilinogen?
The CAS number of D-Urobilinogen is 17208-65-0.
What is the molecular formula of D-Urobilinogen?
The molecular formula of D-Urobilinogen is C33H42N4O6.
What is the molecular weight of D-Urobilinogen?
The molecular weight of D-Urobilinogen is 590.31 g/mol.
Where can I buy D-Urobilinogen?
You can request a quote for D-Urobilinogen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Urobilinogen?
Yes, KEHONG BIO provides custom synthesis services for D-Urobilinogen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.