1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
TL;DR: 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate (CAS 307341-12-4) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate
Also Known As: IFLab1_003364, 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate, dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)isophthalate, dimethyl 5-(2,5-dimethyl-1-pyrrolyl)isophthalate, dimethyl 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 307341-12-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C |
| InChIKey | IEPOURHPSUPAOX-UHFFFAOYSA-N |
Product Overview
1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate (CAS 307341-12-4), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: dimethyl 5-(2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
Property Insights of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 57.5 Ų, 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate has 0 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 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate?
The CAS number of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate is 307341-12-4.
What is the molecular formula of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate?
The molecular formula of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate is C16H17NO4.
What is the molecular weight of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate?
The molecular weight of 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate is 287.12 g/mol.
Where can I buy 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate?
You can request a quote for 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.