Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
TL;DR: Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate (CAS 20303-31-5) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate, UPCMLD-DP155, UPCMLD-DP155:001, s10602
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 20303-31-5 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | KCXNIAMRWFWMOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate (CAS 20303-31-5), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
Property Insights of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
The XLogP value of 3.2 indicates that Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate. Following Lipinski's Rule of Five, Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate has 1 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 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate?
The CAS number of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate is 20303-31-5.
What is the molecular formula of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate?
The molecular formula of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate is C18H21NO4.
What is the molecular weight of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate?
The molecular weight of Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate is 315.15 g/mol.
Where can I buy Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate?
You can request a quote for Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.