Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 874594-07-7) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
Also Known As: Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate, methyl 4-(chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate, Methyl4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.64794 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 475.2963 |
Chemical Identifiers
| CAS Number | 874594-07-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)CCl |
Product Overview
Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 874594-07-7), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.64794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 3 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-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 874594-07-7.
What is the molecular formula of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is C13H16ClNO3.
What is the molecular weight of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 269.08 g/mol.
Where can I buy Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-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 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-chloroacetyl)-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.