甾體膽鹼
TL;DR: 甾體膽鹼 (CAS 34217-90-8) is a chemical compound with molecular formula C33H46N4O6 and molecular weight 594.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甾體膽鹼
3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid
Also Known As: Stercobilin, Stercobilin IX, Stercobilin (hydrochloride), 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid, (2R,3R,4S,16S,17R,18R)-3,18-Diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
| Molecular Formula | C33H46N4O6 |
|---|---|
| Molecular Weight | 594.34 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 594.34174 |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 34217-90-8 |
|---|---|
| SMILES | CCC1C(C(=O)NC1CC2=NC(=CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C |
| InChIKey | TYOWQSLRVAUSMI-UHFFFAOYSA-N |
Product Overview
甾體膽鹼 (CAS 34217-90-8), with molecular formula C33H46N4O6 and molecular weight 594.34 g/mol. IUPAC: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid.
Chemical Property Profile of 甾體膽鹼
Property Insights of 甾體膽鹼
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甾體膽鹼. The TPSA of 161.0 Ų indicates high polarity, suggesting 甾體膽鹼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甾體膽鹼 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 甾體膽鹼?
The CAS number of 甾體膽鹼 is 34217-90-8.
What is the molecular formula of 甾體膽鹼?
The molecular formula of 甾體膽鹼 is C33H46N4O6.
What is the molecular weight of 甾體膽鹼?
The molecular weight of 甾體膽鹼 is 594.34 g/mol.
Where can I buy 甾體膽鹼?
You can request a quote for 甾體膽鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甾體膽鹼?
Yes, KEHONG BIO provides custom synthesis services for 甾體膽鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.