Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
TL;DR: Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302912-72-7) is a chemical compound with molecular formula C23H16BrN3O5 and molecular weight 493.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Also Known As: ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate, Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate, ethyl 3-(3-bromophenyl)-7-[(4-nitrophenyl)carbonyl]pyrrolo[1,2-a]pyrimidine-5-carboxylate, 658-616-6, RefChem:594652
| Molecular Formula | C23H16BrN3O5 |
|---|---|
| Molecular Weight | 493.03 g/mol |
| LogP | 5.0797 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.02734 |
| Heavy Atoms | 32 |
| Complexity | 1362.077 |
Chemical Identifiers
| CAS Number | 302912-72-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Br |
Product Overview
Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302912-72-7), with molecular formula C23H16BrN3O5 and molecular weight 493.03 g/mol. IUPAC: ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
Property Insights of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
The XLogP value of 5.0797 indicates that Ethyl 3-(3-bromophenyl)-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 Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(3-bromophenyl)-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 Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The CAS number of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 302912-72-7.
What is the molecular formula of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is C23H16BrN3O5.
What is the molecular weight of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 493.03 g/mol.
Where can I buy Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 3-(3-bromophenyl)-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 Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.