Oxacyclotridecan-2-one
TL;DR: Oxacyclotridecan-2-one (CAS 947-05-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxacyclotridecan-2-one
Also Known As: Oxacyclotridecan-2-one, Dodecanolactone, dodecalactone, dodecanolid, dodecanolide
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 947-05-7 |
|---|---|
| SMILES | C1CCCCCC(=O)OCCCCC1 |
| InChIKey | DQGSJTVMODPFBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxacyclotridecan-2-one (CAS 947-05-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: oxacyclotridecan-2-one.
Chemical Property Profile of Oxacyclotridecan-2-one
Property Insights of Oxacyclotridecan-2-one
The XLogP value of 4.1 indicates that Oxacyclotridecan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Oxacyclotridecan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxacyclotridecan-2-one 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 Oxacyclotridecan-2-one?
The CAS number of Oxacyclotridecan-2-one is 947-05-7.
What is the molecular formula of Oxacyclotridecan-2-one?
The molecular formula of Oxacyclotridecan-2-one is C12H22O2.
What is the molecular weight of Oxacyclotridecan-2-one?
The molecular weight of Oxacyclotridecan-2-one is 198.16 g/mol.
Where can I buy Oxacyclotridecan-2-one?
You can request a quote for Oxacyclotridecan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxacyclotridecan-2-one?
Yes, KEHONG BIO provides custom synthesis services for Oxacyclotridecan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.