己二酸酐
TL;DR: 己二酸酐 (CAS 29254-17-9) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸酐
oxepane-2,7-dione
Also Known As: Oxepane-2,7-dione, 2,7-Oxepanedione, Adipic anhydride, Adipicanhydride, 2,7-oxepanedion
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 29254-17-9 |
|---|---|
| SMILES | C1CCC(=O)OC(=O)C1 |
| InChIKey | JPSKCQCQZUGWNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸酐 (CAS 29254-17-9), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: oxepane-2,7-dione.
Chemical Property Profile of 己二酸酐
Property Insights of 己二酸酐
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 己二酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸酐 has 0 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 己二酸酐?
The CAS number of 己二酸酐 is 29254-17-9.
What is the molecular formula of 己二酸酐?
The molecular formula of 己二酸酐 is C6H8O3.
What is the molecular weight of 己二酸酐?
The molecular weight of 己二酸酐 is 128.05 g/mol.
Where can I buy 己二酸酐?
You can request a quote for 己二酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸酐?
Yes, KEHONG BIO provides custom synthesis services for 己二酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.