Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate (CAS 327084-98-0) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate, DIMETHYL 5-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)BENZENE-1,3-DICARBOXYLATE, Dimethyl 5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)isophthalate, dimethyl 5-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzene-1,3-dicarboxylate, 1,3-dimethyl 5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylate
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.47984 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 754.27167 |
Chemical Identifiers
| CAS Number | 327084-98-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C=O |
Product Overview
Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate (CAS 327084-98-0), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: dimethyl 5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate
The XLogP value of 2.47984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate 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-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate is 327084-98-0.
What is the molecular formula of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate is C17H17NO5.
What is the molecular weight of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate is 315.11 g/mol.
Where can I buy Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(3-formyl-2,5-dimethyl-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 Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(3-formyl-2,5-dimethyl-pyrrol-1-YL)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.