Esmeraldin B
TL;DR: Esmeraldin B (CAS 119958-58-6) is a chemical compound with molecular formula C38H28N4O7 and molecular weight 652.1958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[1-(2-hydroxy-6-methylbenzoyl)oxyethyl]-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
Also Known As: Esmeraldin B, Esmareldine B, J1.149.383A, 6H,10H-Pyrido[3,2-a:5,6,1-d'e']diphenazine-11,17-dicarboxylicacid, 4-[1-[(2-hydroxy-6-methylbenzoyl)oxy]ethyl]-6-methyl- (9CI), 11-(1-(2-hydroxy-6-methylbenzoyl)oxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo(15.11.1.02,15.05,14.07,12.021,29.023,28)nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
Technical Specifications
| Molecular Formula | C38H28N4O7 |
| Molecular Weight | 652.1958 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 652.1958 Da |
| Heavy Atoms | 49 |
| Complexity | 1280.0 |
| SMILES | CC1C2=C3C(=CC=C2)NC4=C(C=CC=C4N3C5=C1C6=NC7=C(C=CC=C7N=C6C(=C5)C(=O)O)C(C)OC(=O)C8=C(C=CC=C8O)C)C(=O)O |
| InChIKey | UFEIYIBAKOKKBK-UHFFFAOYSA-N |
Chemical Property Profile of Esmeraldin B
Property Insights of Esmeraldin B
The XLogP value of 7.0 indicates that Esmeraldin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Esmeraldin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esmeraldin B has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Esmeraldin B?
The CAS number of Esmeraldin B is 119958-58-6.
What is the molecular formula of Esmeraldin B?
The molecular formula of Esmeraldin B is C38H28N4O7.
What is the molecular weight of Esmeraldin B?
The molecular weight of Esmeraldin B is 652.1958 g/mol.
Where can I buy Esmeraldin B?
You can request a quote for Esmeraldin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Esmeraldin B?
Yes, CoreyChem provides custom synthesis services for Esmeraldin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.