ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
TL;DR: ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302913-09-3) is a chemical compound with molecular formula C29H21N3O5 and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(4-nitrobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Also Known As: Ethyl 3-([1,1'-biphenyl]-4-yl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate, ET 3-(1,1'-BIPHENYL)4-YL-7(4-NITROBENZOYL)PYRROLO(1,2-C)PYRIMIDINE-5-CARBOXYLATE, ethyl 3-{[1,1'-biphenyl]-4-yl}-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate, ethyl 7-(4-nitrobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate, 658-667-4
| Molecular Formula | C29H21N3O5 |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 5.9842 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.14813 |
| Heavy Atoms | 37 |
| Complexity | 1622.8102 |
Chemical Identifiers
| CAS Number | 302913-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302913-09-3), with molecular formula C29H21N3O5 and molecular weight 491.15 g/mol. IUPAC: ethyl 7-(4-nitrobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate.
Chemical Property Profile of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
Property Insights of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
The XLogP value of 5.9842 indicates that ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-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 ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The CAS number of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 302913-09-3.
What is the molecular formula of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular formula of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is C29H21N3O5.
What is the molecular weight of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular weight of ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 491.15 g/mol.
Where can I buy ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
You can request a quote for ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ET 3-(1,1'-Biphenyl)4-YL-7(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.