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Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
TL;DR: Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 618443-99-5) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Also Known As: dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate, DIMETHYL 3-ACETYLPYRROLO(2,1-A)ISOQUINOLINE-1,2-DICARBOXYLATE
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.8683 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 999.4755 |
Chemical Identifiers
| CAS Number | 618443-99-5 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate (CAS 618443-99-5), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
Property Insights of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
The XLogP value of 2.8683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-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 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The CAS number of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 618443-99-5.
What is the molecular formula of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular formula of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is C18H15NO5.
What is the molecular weight of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
The molecular weight of Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate is 325.10 g/mol.
Where can I buy Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
You can request a quote for Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-acetylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.