尿胆素
TL;DR: 尿胆素 (CAS 1856-98-0) 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.
尿胆素
3-[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 (hydrochloride), EINECS 217-456-3, 3-[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
| Molecular Formula | C33H42N4O6 |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 590.3104 |
| Heavy Atoms | 43 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 1856-98-0 |
|---|---|
| SMILES | CCC1=C(C(=O)NC1CC2=C(C(=C(N2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C |
| InChIKey | KDCCOOGTVSRCHX-UHFFFAOYSA-N |
Product Overview
尿胆素 (CAS 1856-98-0), 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]methylidene]-5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid.
Chemical Property Profile of 尿胆素
Property Insights of 尿胆素
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尿胆素. The TPSA of 161.0 Ų indicates high polarity, suggesting 尿胆素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 尿胆素 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 尿胆素?
The CAS number of 尿胆素 is 1856-98-0.
What is the molecular formula of 尿胆素?
The molecular formula of 尿胆素 is C33H42N4O6.
What is the molecular weight of 尿胆素?
The molecular weight of 尿胆素 is 590.31 g/mol.
Where can I buy 尿胆素?
You can request a quote for 尿胆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尿胆素?
Yes, KEHONG BIO provides custom synthesis services for 尿胆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.