Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester
TL;DR: Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester (CAS 72187-23-6) is a chemical compound with molecular formula C16H24O5 and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-hexyl-2-oxocyclopent-3-en-1-yl)propanedioate
Also Known As: Dimethyl (3-hexyl-2-oxo-3-cyclopenten-1-yl)malonate, Dimethyl (2-hexyl-3-oxocyclopent-1-en-4-yl)propanedioic acid, Propanedioic acid, (3-hexyl-2-oxo-3-cyclopenten-1-yl)-, dimethyl ester, Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester, dimethyl 2-(3-hexyl-2-oxocyclopent-3-en-1-yl)propanedioate
| Molecular Formula | C16H24O5 |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.16238 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 72187-23-6 |
|---|---|
| SMILES | CCCCCCC1=CCC(C1=O)C(C(=O)OC)C(=O)OC |
| InChIKey | QJSAZIYBBQRVEA-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester (CAS 72187-23-6), with molecular formula C16H24O5 and molecular weight 296.16 g/mol. IUPAC: dimethyl 2-(3-hexyl-2-oxocyclopent-3-en-1-yl)propanedioate.
Chemical Property Profile of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester
Property Insights of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester
The XLogP value of 3.5 indicates that Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-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, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester?
The CAS number of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester is 72187-23-6.
What is the molecular formula of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester?
The molecular formula of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester is C16H24O5.
What is the molecular weight of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester?
The molecular weight of Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester is 296.16 g/mol.
Where can I buy Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester?
You can request a quote for Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-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, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-(3-hexyl-2-oxo-3-cyclopenten-1-yl)-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.