Propanedioic acid,2-(1-methylethylidene)-
TL;DR: Propanedioic acid,2-(1-methylethylidene)- (CAS 4441-90-1) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylidenepropanedioic acid
Also Known As: Isopropylidenmalonsaure, Isopropylidenemalonic acid, Isopropyliden-malonsaeure, Propanedioic acid,2-(1-methylethylidene)-, propan-2-ylidenepropanedioic acid
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 4441-90-1 |
|---|---|
| SMILES | CC(=C(C(=O)O)C(=O)O)C |
| InChIKey | XEUONQRNFDMHGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid,2-(1-methylethylidene)- (CAS 4441-90-1), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: 2-propan-2-ylidenepropanedioic acid.
Chemical Property Profile of Propanedioic acid,2-(1-methylethylidene)-
Property Insights of Propanedioic acid,2-(1-methylethylidene)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid,2-(1-methylethylidene)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid,2-(1-methylethylidene)-. Following Lipinski's Rule of Five, Propanedioic acid,2-(1-methylethylidene)- has 2 hydrogen bond donor(s) and 4 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-(1-methylethylidene)-?
The CAS number of Propanedioic acid,2-(1-methylethylidene)- is 4441-90-1.
What is the molecular formula of Propanedioic acid,2-(1-methylethylidene)-?
The molecular formula of Propanedioic acid,2-(1-methylethylidene)- is C6H8O4.
What is the molecular weight of Propanedioic acid,2-(1-methylethylidene)-?
The molecular weight of Propanedioic acid,2-(1-methylethylidene)- is 144.04 g/mol.
Where can I buy Propanedioic acid,2-(1-methylethylidene)-?
You can request a quote for Propanedioic acid,2-(1-methylethylidene)- 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-(1-methylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid,2-(1-methylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.