methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 314245-31-3) is a chemical compound with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: methyl 4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate, 4-[3-(2-Chloro-acetyl)-2,5-dimethyl-pyrrol-1-yl]-benzoic acid methyl ester, methyl 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzoate, methyl 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrolyl]benzoate, methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C16H16ClNO3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.08188 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 314245-31-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CCl |
| InChIKey | LDMHYAVGVRJERG-UHFFFAOYSA-N |
Product Overview
methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 314245-31-3), with molecular formula C16H16ClNO3 and molecular weight 305.08 g/mol. IUPAC: methyl 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 3.3 indicates that methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate 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-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 314245-31-3.
What is the molecular formula of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C16H16ClNO3.
What is the molecular weight of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 305.08 g/mol.
Where can I buy methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.