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spiro[5,5]undeca-2,8-diene-1,7-dione
TL;DR: spiro[5,5]undeca-2,8-diene-1,7-dione (CAS 40771-34-4) is a chemical compound with molecular formula C14H19NO6 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxycarbonyl-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid
Also Known As: spiro[5,5]undeca-2,8-diene-1,7-dione, 5-(Ethoxycarbonyl)-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid, 5-ethoxycarbonyl-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrol, 4-(3-ETHOXY-3-OXOPROPYL)-5-(ETHOXYCARBONYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID, 5-ethoxycarbonyl-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid
| Molecular Formula | C14H19NO6 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.12125 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 40771-34-4 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC |
| InChIKey | PGRGVCUCEWJXSX-UHFFFAOYSA-N |
Product Overview
spiro[5,5]undeca-2,8-diene-1,7-dione (CAS 40771-34-4), with molecular formula C14H19NO6 and molecular weight 297.12 g/mol. IUPAC: 5-ethoxycarbonyl-4-(3-ethoxy-3-oxopropyl)-2-methyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of spiro[5,5]undeca-2,8-diene-1,7-dione
Property Insights of spiro[5,5]undeca-2,8-diene-1,7-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for spiro[5,5]undeca-2,8-diene-1,7-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for spiro[5,5]undeca-2,8-diene-1,7-dione. Following Lipinski's Rule of Five, spiro[5,5]undeca-2,8-diene-1,7-dione has 2 hydrogen bond donor(s) and 6 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 spiro[5,5]undeca-2,8-diene-1,7-dione?
The CAS number of spiro[5,5]undeca-2,8-diene-1,7-dione is 40771-34-4.
What is the molecular formula of spiro[5,5]undeca-2,8-diene-1,7-dione?
The molecular formula of spiro[5,5]undeca-2,8-diene-1,7-dione is C14H19NO6.
What is the molecular weight of spiro[5,5]undeca-2,8-diene-1,7-dione?
The molecular weight of spiro[5,5]undeca-2,8-diene-1,7-dione is 297.12 g/mol.
Where can I buy spiro[5,5]undeca-2,8-diene-1,7-dione?
You can request a quote for spiro[5,5]undeca-2,8-diene-1,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for spiro[5,5]undeca-2,8-diene-1,7-dione?
Yes, KEHONG BIO provides custom synthesis services for spiro[5,5]undeca-2,8-diene-1,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.