己酸酐
TL;DR: 己酸酐 (CAS 2051-49-2) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸酐
hexanoyl hexanoate
Also Known As: Hexanoic anhydride, hexanoyl hexanoate, Caproic anhydride, HexanoicAnhydride, n-Hexanoic anhydride
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 2051-49-2 |
|---|---|
| SMILES | CCCCCC(=O)OC(=O)CCCCC |
| InChIKey | PKHMTIRCAFTBDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸酐 (CAS 2051-49-2), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: hexanoyl hexanoate.
Chemical Property Profile of 己酸酐
Property Insights of 己酸酐
The XLogP value of 3.7 indicates that 己酸酐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 己酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸酐 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 己酸酐?
The CAS number of 己酸酐 is 2051-49-2.
What is the molecular formula of 己酸酐?
The molecular formula of 己酸酐 is C12H22O3.
What is the molecular weight of 己酸酐?
The molecular weight of 己酸酐 is 214.16 g/mol.
Where can I buy 己酸酐?
You can request a quote for 己酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸酐?
Yes, KEHONG BIO provides custom synthesis services for 己酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.