![[(Naphthalen-1-yl)methylidene]propanedioic acid structure](/static/products/5881/58818-75-0.webp)
[(Naphthalen-1-yl)methylidene]propanedioic acid
TL;DR: [(Naphthalen-1-yl)methylidene]propanedioic acid (CAS 58818-75-0) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethylidene)propanedioic acid
Also Known As: [(1-Naphthyl)methylene]malonic acid|2-(1-Naphthylmethylene)malonic acid|[(Naphthalen-1-yl)methylidene]propanedioic acid|2-(naphthalen-1-ylmethylidene)propanedioic acid|J1.541.330A|2-[(naphthalen-1-yl)methylidene]propanedioic acid
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 58818-75-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C=C(C(=O)O)C(=O)O |
| InChIKey | FUMCVFJTULMDNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Naphthalen-1-yl)methylidene]propanedioic acid (CAS 58818-75-0), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 2-(naphthalen-1-ylmethylidene)propanedioic acid.
Chemical Property Profile of [(Naphthalen-1-yl)methylidene]propanedioic acid
Property Insights of [(Naphthalen-1-yl)methylidene]propanedioic acid
The XLogP value of 4.0 indicates that [(Naphthalen-1-yl)methylidene]propanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Naphthalen-1-yl)methylidene]propanedioic acid. Following Lipinski's Rule of Five, [(Naphthalen-1-yl)methylidene]propanedioic acid 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 [(Naphthalen-1-yl)methylidene]propanedioic acid?
The CAS number of [(Naphthalen-1-yl)methylidene]propanedioic acid is 58818-75-0.
What is the molecular formula of [(Naphthalen-1-yl)methylidene]propanedioic acid?
The molecular formula of [(Naphthalen-1-yl)methylidene]propanedioic acid is C14H10O4.
What is the molecular weight of [(Naphthalen-1-yl)methylidene]propanedioic acid?
The molecular weight of [(Naphthalen-1-yl)methylidene]propanedioic acid is 242.06 g/mol.
Where can I buy [(Naphthalen-1-yl)methylidene]propanedioic acid?
You can request a quote for [(Naphthalen-1-yl)methylidene]propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Naphthalen-1-yl)methylidene]propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for [(Naphthalen-1-yl)methylidene]propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.