ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
TL;DR: ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate (CAS 94126-65-5) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
Also Known As: ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate, ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoy, Ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)-1H-pyrrole-3-carboxylate, RefChem:341996
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 94126-65-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N)C |
| InChIKey | VGBPUWVWODRJSP-UHFFFAOYSA-N |
Product Overview
ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate (CAS 94126-65-5), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
Property Insights of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate?
The CAS number of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate is 94126-65-5.
What is the molecular formula of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate?
The molecular formula of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate is C22H22N4O4.
What is the molecular weight of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate?
The molecular weight of ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate is 406.16 g/mol.
Where can I buy ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate?
You can request a quote for ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(carbamoylamino)-2-methyl-5-phenyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.