Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate
TL;DR: Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate (CAS 315708-28-2) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate
Also Known As: AF-399/15335152, methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-(4-morpholinylacetyl)-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-(4-morpholinylacetyl)-, methyl ester (9CI)
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 315708-28-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2CCOCC2 |
| InChIKey | OAJABGHXZSBZAA-UHFFFAOYSA-N |
Product Overview
Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate (CAS 315708-28-2), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate
Property Insights of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate?
The CAS number of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate is 315708-28-2.
What is the molecular formula of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate?
The molecular formula of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate is C14H20N2O4.
What is the molecular weight of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate?
The molecular weight of Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate is 280.14 g/mol.
Where can I buy Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate?
You can request a quote for Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)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 Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-dimethyl-5-(2-morpholin-4-ylacetyl)pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.