Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate
TL;DR: Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate (CAS 77978-75-7) is a chemical compound with molecular formula C10H10ClNO5 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethylidene)-4-(2-methoxy-2-oxoethyl)-5-oxopyrrole-3-carboxylate
Also Known As: Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate, methyl 2-(chloromethylidene)-4-(2-methoxy-2-oxoethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, methyl 2-(chloromethylidene)-4-(2-methoxy-2-oxoethyl)-5-oxopyrrole-3-carboxylate, 1H-Pyrrole-3-acetic acid, 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-, methyl ester, METHYL2-(CHLOROMETHYLIDENE)-4-(2-METHOXY-2-OXOETHYL)-5-OXO-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C10H10ClNO5 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 0.2291 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.02475 |
| Heavy Atoms | 17 |
| Complexity | 437.9772 |
Chemical Identifiers
| CAS Number | 77978-75-7 |
|---|---|
| SMILES | COC(=O)CC1=C(C(=CCl)NC1=O)C(=O)OC |
Product Overview
Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate (CAS 77978-75-7), with molecular formula C10H10ClNO5 and molecular weight 259.02 g/mol. IUPAC: methyl 2-(chloromethylidene)-4-(2-methoxy-2-oxoethyl)-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate
Property Insights of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate
The XLogP value of 0.2291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate. Following Lipinski's Rule of Five, Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate 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 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate?
The CAS number of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate is 77978-75-7.
What is the molecular formula of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate?
The molecular formula of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate is C10H10ClNO5.
What is the molecular weight of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate?
The molecular weight of Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate is 259.02 g/mol.
Where can I buy Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate?
You can request a quote for Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(chloromethylene)-2,5-dihydro-4-(methoxycarbonyl)-2-oxo-1H-pyrrole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.