Bactobilin
TL;DR: Bactobilin (CAS 86829-00-7) is a chemical compound with molecular formula C39H38N4O18 and molecular weight 850.22 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-(2-carboxyethyl)-4-(carboxymethyl)-5-oxopyrrol-2-ylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxopyrrol-2-yl]methylidene]-4-(carboxymethyl)pyrrol-3-yl]propanoic acid
Also Known As: Bactobilin, 21H-Biline-2,8,12,17-tetrapropanoic acid, 3,7,13,18-tetrakis(carboxymethyl)-1,19,23,24-tetrahydro-1,19-dioxo-, 3-[2-[[3-(2-Carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-oxopyrrol-2-ylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxopyrrol-2-yl]methylidene]-4-(carboxymethyl)pyrrol-3-yl]propanoic acid
| Molecular Formula | C39H38N4O18 |
|---|---|
| Molecular Weight | 850.22 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Exact Mass | 850.21814 |
| Heavy Atoms | 61 |
| Complexity | 2190.0 |
Chemical Identifiers
| CAS Number | 86829-00-7 |
|---|---|
| SMILES | C(CC(=O)O)C1=C(C(=CC2=NC(=O)C(=C2CC(=O)O)CCC(=O)O)NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O |
| InChIKey | WURWKSUFZWLCIX-UHFFFAOYSA-N |
Product Overview
Bactobilin (CAS 86829-00-7), with molecular formula C39H38N4O18 and molecular weight 850.22 g/mol. IUPAC: 3-[2-[[3-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-oxopyrrol-2-ylidene]methyl]-4-(carboxymethyl)-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-5-oxopyrrol-2-yl]methylidene]-4-(carboxymethyl)pyrrol-3-yl]propanoic acid.
Chemical Property Profile of Bactobilin
Property Insights of Bactobilin
The XLogP value of -3.1 indicates that Bactobilin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 385.0 Ų indicates high polarity, suggesting Bactobilin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bactobilin has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bactobilin?
The CAS number of Bactobilin is 86829-00-7.
What is the molecular formula of Bactobilin?
The molecular formula of Bactobilin is C39H38N4O18.
What is the molecular weight of Bactobilin?
The molecular weight of Bactobilin is 850.22 g/mol.
Where can I buy Bactobilin?
You can request a quote for Bactobilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bactobilin?
Yes, KEHONG BIO provides custom synthesis services for Bactobilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.