![dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate structure](/static/products/3006/300676-07-7.webp)
dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate
TL;DR: dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate (CAS 300676-07-7) is a chemical compound with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate, 1,3-dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1,3-dicarboxylate, AB00685120-01, F0745-0490, dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate
| Molecular Formula | C18H18ClNO5 |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 3.08884 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.08734 |
| Heavy Atoms | 25 |
| Complexity | 819.1416 |
Chemical Identifiers
| CAS Number | 300676-07-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CCl |
Product Overview
dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate (CAS 300676-07-7), with molecular formula C18H18ClNO5 and molecular weight 363.09 g/mol. IUPAC: dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate
Property Insights of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate
The XLogP value of 3.08884 indicates that dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate. Following Lipinski's Rule of Five, dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate has 0 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 dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate?
The CAS number of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate is 300676-07-7.
What is the molecular formula of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate?
The molecular formula of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate is C18H18ClNO5.
What is the molecular weight of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate?
The molecular weight of dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate is 363.09 g/mol.
Where can I buy dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate?
You can request a quote for dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.