氧杂环庚烷
TL;DR: 氧杂环庚烷 (CAS 592-90-5) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧杂环庚烷
oxepane
Also Known As: OXEPANE, Hexamethylene oxide, Oxacycloheptane, Hexamethyleneoxide, Hexahydrooxepin
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 592-90-5 |
|---|---|
| SMILES | C1CCCOCC1 |
| InChIKey | UHHKSVZZTYJVEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氧杂环庚烷 (CAS 592-90-5), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: oxepane.
Chemical Property Profile of 氧杂环庚烷
Property Insights of 氧杂环庚烷
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氧杂环庚烷. With a topological polar surface area (TPSA) of 9.2 Ų, 氧杂环庚烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氧杂环庚烷 has 0 hydrogen bond donor(s) and 1 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 氧杂环庚烷?
The CAS number of 氧杂环庚烷 is 592-90-5.
What is the molecular formula of 氧杂环庚烷?
The molecular formula of 氧杂环庚烷 is C6H12O.
What is the molecular weight of 氧杂环庚烷?
The molecular weight of 氧杂环庚烷 is 100.09 g/mol.
Where can I buy 氧杂环庚烷?
You can request a quote for 氧杂环庚烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧杂环庚烷?
Yes, KEHONG BIO provides custom synthesis services for 氧杂环庚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.