methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate (CAS 338403-60-4) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(2,2-diphenylethanehydrazonoyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.8602 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 854.91736 |
Chemical Identifiers
| CAS Number | 338403-60-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN1)C(=NNC2=CC=CC=C2)CC3=CC=CC=C3 |
Product Overview
methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate (CAS 338403-60-4), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate
The XLogP value of 3.8602 indicates that methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate has 2 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 methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate is 338403-60-4.
What is the molecular formula of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate is C20H19N3O2.
What is the molecular weight of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate is 333.15 g/mol.
Where can I buy methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(N-anilino-C-benzylcarbonimidoyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.