![3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate structure](/static/products/848/848993-82-8.png)
3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate
TL;DR: 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate (CAS 848993-82-8) is a chemical compound with molecular formula C29H20N4O2S2 and molecular weight 520.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-phenylethyl)-8-thiophen-2-yl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] thiophene-2-carboxylate
Also Known As: 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate, 3-phenethyl-5-(thiophen-2-yl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl thiophene-2-carboxylate
| Molecular Formula | C29H20N4O2S2 |
|---|---|
| Molecular Weight | 520.10 g/mol |
| LogP | 7.0891 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1028 |
| Heavy Atoms | 37 |
| Complexity | 1868.0449 |
Chemical Identifiers
| CAS Number | 848993-82-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)C6=CC=CS6)OC(=O)C7=CC=CS7 |
Product Overview
3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate (CAS 848993-82-8), with molecular formula C29H20N4O2S2 and molecular weight 520.10 g/mol. IUPAC: [5-(2-phenylethyl)-8-thiophen-2-yl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] thiophene-2-carboxylate.
Chemical Property Profile of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate
Property Insights of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate
The XLogP value of 7.0891 indicates that 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate?
The CAS number of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate is 848993-82-8.
What is the molecular formula of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate?
The molecular formula of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate is C29H20N4O2S2.
What is the molecular weight of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate?
The molecular weight of 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate is 520.10 g/mol.
Where can I buy 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate?
You can request a quote for 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-phenylethyl)-5-(thiophen-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.