Propanedioic acid monopropyl ester
TL;DR: Propanedioic acid monopropyl ester (CAS 22470-90-2) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-propoxypropanoic acid
Also Known As: Malonsaureethylmethylester, propanedioic acid monopropyl ester, Malonic acid 1-propyl ester, malonic acid monopropyl ester, 3-oxo-3-propoxypropanoic acid
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.4143 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 129.7095 |
Chemical Identifiers
| CAS Number | 22470-90-2 |
|---|---|
| SMILES | CCCOC(=O)CC(=O)O |
Product Overview
Propanedioic acid monopropyl ester (CAS 22470-90-2), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: 3-oxo-3-propoxypropanoic acid.
Chemical Property Profile of Propanedioic acid monopropyl ester
Property Insights of Propanedioic acid monopropyl ester
The XLogP value of 0.4143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid monopropyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid monopropyl ester. Following Lipinski's Rule of Five, Propanedioic acid monopropyl ester has 1 hydrogen bond donor(s) and 3 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 monopropyl ester?
The CAS number of Propanedioic acid monopropyl ester is 22470-90-2.
What is the molecular formula of Propanedioic acid monopropyl ester?
The molecular formula of Propanedioic acid monopropyl ester is C6H10O4.
What is the molecular weight of Propanedioic acid monopropyl ester?
The molecular weight of Propanedioic acid monopropyl ester is 146.06 g/mol.
Where can I buy Propanedioic acid monopropyl ester?
You can request a quote for Propanedioic acid monopropyl 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 monopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid monopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.