methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate (CAS 877963-98-9) is a chemical compound with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate
Also Known As: methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate, methyl 4-(chloroacetyl)-1-isopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate, methyl 4-(2-chloroacetyl)-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate, METHYL 4-(2-CHLOROACETYL)-1-ISOPROPYL-2,5-DIMETHYLPYRROLE-3-CARBOXYLATE
| Molecular Formula | C13H18ClNO3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.89394 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.09753 |
| Heavy Atoms | 18 |
| Complexity | 449.41608 |
Chemical Identifiers
| CAS Number | 877963-98-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1C(C)C)C)C(=O)OC)C(=O)CCl |
Product Overview
methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate (CAS 877963-98-9), with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol. IUPAC: methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.89394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-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)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate is 877963-98-9.
What is the molecular formula of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate is C13H18ClNO3.
What is the molecular weight of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate is 271.10 g/mol.
Where can I buy methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-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)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-chloroacetyl)-2,5-dimethyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.