Cubane-1,4-dicarboylic acid dimethyl ester
TL;DR: Cubane-1,4-dicarboylic acid dimethyl ester (CAS 29412-62-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl cubane-1,4-dicarboxylate
Also Known As: Dimethyl 1,4-cubanedicarboxylate, dimethyl cubane-1,4-dicarboxylate, 1,4-Bis(methoxycarbonyl)cubane, Cubane-1,4-dicarboylic acid dimethyl ester, dimethylcubane-1,4-dicarboxylate
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 29412-62-2 |
|---|---|
| SMILES | COC(=O)C12C3C4C1C5C2C3C45C(=O)OC |
| InChIKey | OXBMFCGRQJNAOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cubane-1,4-dicarboylic acid dimethyl ester (CAS 29412-62-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: dimethyl cubane-1,4-dicarboxylate.
Chemical Property Profile of Cubane-1,4-dicarboylic acid dimethyl ester
Property Insights of Cubane-1,4-dicarboylic acid dimethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cubane-1,4-dicarboylic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Cubane-1,4-dicarboylic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cubane-1,4-dicarboylic acid dimethyl ester has 0 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 Cubane-1,4-dicarboylic acid dimethyl ester?
The CAS number of Cubane-1,4-dicarboylic acid dimethyl ester is 29412-62-2.
What is the molecular formula of Cubane-1,4-dicarboylic acid dimethyl ester?
The molecular formula of Cubane-1,4-dicarboylic acid dimethyl ester is C12H12O4.
What is the molecular weight of Cubane-1,4-dicarboylic acid dimethyl ester?
The molecular weight of Cubane-1,4-dicarboylic acid dimethyl ester is 220.07 g/mol.
Where can I buy Cubane-1,4-dicarboylic acid dimethyl ester?
You can request a quote for Cubane-1,4-dicarboylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cubane-1,4-dicarboylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cubane-1,4-dicarboylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.