Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen
TL;DR: Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen (CAS 10118-54-4) is a chemical compound with molecular formula C28H35N3O6 and molecular weight 509.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[bis(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate
Also Known As: Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen, ethyl 5-[bis(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)me, diethyl 5,5'-{[4-(ethoxycarbonyl)-3,5-dimethyl-2h-pyrrol-2-ylidene]methanediyl}bis(2,4-dimethyl-1h-pyrrole-3-carboxylate), ethyl 5-[bis(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 5-[[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl][4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene]methyl]-2,4-dimethyl-, ethyl ester (9CI)
| Molecular Formula | C28H35N3O6 |
|---|---|
| Molecular Weight | 509.25 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.2526 |
| Heavy Atoms | 37 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 10118-54-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C2=C(C(=C(N2)C)C(=O)OCC)C)C3=C(C(=C(N3)C)C(=O)OCC)C)N=C1C)C |
| InChIKey | XCJYCVPCODWPOZ-UHFFFAOYSA-N |
Product Overview
Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen (CAS 10118-54-4), with molecular formula C28H35N3O6 and molecular weight 509.25 g/mol. IUPAC: ethyl 5-[bis(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen
Property Insights of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen
The XLogP value of 4.2 indicates that Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen. Following Lipinski's Rule of Five, Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen has 2 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 Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen?
The CAS number of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen is 10118-54-4.
What is the molecular formula of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen?
The molecular formula of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen is C28H35N3O6.
What is the molecular weight of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen?
The molecular weight of Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen is 509.25 g/mol.
Where can I buy Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen?
You can request a quote for Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen?
Yes, KEHONG BIO provides custom synthesis services for Tris-<2,4-dimethyl-3-carbethoxy-pyrrol-(5)>-methen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.