二氧化三碳
TL;DR: 二氧化三碳 (CAS 504-64-3) is a chemical compound with molecular formula C(=C=O)=C=O and molecular weight 67.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氧化三碳
propa-1,2-diene-1,3-dione
Also Known As: Carbon suboxide, tricarbon dioxide, carbonyl ketene, compound 4, 1,3-Allenedione
| Molecular Formula | C(=C=O)=C=O |
|---|---|
| Molecular Weight | 67.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.98983 |
| Heavy Atoms | 5 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 504-64-3 |
|---|---|
| SMILES | C(=C=O)=C=O |
| InChIKey | GNEVIACKFGQMHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氧化三碳 (CAS 504-64-3), with molecular formula C(=C=O)=C=O and molecular weight 67.99 g/mol. IUPAC: propa-1,2-diene-1,3-dione.
Chemical Property Profile of 二氧化三碳
Property Insights of 二氧化三碳
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氧化三碳. With a topological polar surface area (TPSA) of 34.1 Ų, 二氧化三碳 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氧化三碳 has 0 hydrogen bond donor(s) and 2 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 二氧化三碳?
The CAS number of 二氧化三碳 is 504-64-3.
What is the molecular formula of 二氧化三碳?
The molecular formula of 二氧化三碳 is C(=C=O)=C=O.
What is the molecular weight of 二氧化三碳?
The molecular weight of 二氧化三碳 is 67.99 g/mol.
Where can I buy 二氧化三碳?
You can request a quote for 二氧化三碳 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氧化三碳?
Yes, KEHONG BIO provides custom synthesis services for 二氧化三碳 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.