methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 77978-86-0) is a chemical compound with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 5-chloro-4-(2-methoxy-2-oxo-ethyl)-2-methyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C10H12ClNO4 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.47862 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.04549 |
| Heavy Atoms | 16 |
| Complexity | 424.69867 |
Chemical Identifiers
| CAS Number | 77978-86-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1)Cl)CC(=O)OC)C(=O)OC |
Product Overview
methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 77978-86-0), with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol. IUPAC: methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.47862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate 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-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is 77978-86-0.
What is the molecular formula of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is C10H12ClNO4.
What is the molecular weight of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is 245.05 g/mol.
Where can I buy methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-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 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.