Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester
TL;DR: Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester (CAS 110027-73-1) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-oxocyclopent-2-en-1-yl)propanedioate
Also Known As: Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester, Dimethyl 2-(4-oxo-2-cyclopenten-1-yl)malonate, dimethyl 2-(4-oxocyclopent-2-en-1-yl)propanedioate, Dimethyl (4-oxocyclopent-2-en-1-yl)propanedioate, Dimethyl 2-(4-oxo-2-cyclopenten-1-yl)malonate #
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 110027-73-1 |
|---|---|
| SMILES | COC(=O)C(C1CC(=O)C=C1)C(=O)OC |
| InChIKey | BOYBXAFDCAAUJS-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester (CAS 110027-73-1), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: dimethyl 2-(4-oxocyclopent-2-en-1-yl)propanedioate.
Chemical Property Profile of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester
Property Insights of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester 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 Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester?
The CAS number of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester is 110027-73-1.
What is the molecular formula of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester?
The molecular formula of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester is C10H12O5.
What is the molecular weight of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester?
The molecular weight of Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester is 212.07 g/mol.
Where can I buy Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester?
You can request a quote for Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (4-oxo-2-cyclopenten-1-yl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.