9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide
TL;DR: 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide (CAS 32476-26-9) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxa-3λ6-thiatricyclo[4.2.1.02,5]non-7-ene 3,3-dioxide
Also Known As: [?] dioxide|9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide|2-[(4-methoxyanilino)methylidene]naphthalen-1-one|9-Oxa-3-thiatricyclo[4.2.1.0~2,5~]non-7-ene 3,3-dioxide|9-Oxa-3lambda~6~-thiatricyclo[4.2.1.0~2,5~]non-7-ene-3,3-dione
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 32476-26-9 |
|---|---|
| SMILES | C1C2C3C=CC(C2S1(=O)=O)O3 |
| InChIKey | MMTOYCALILSUEW-UHFFFAOYSA-N |
Product Overview
9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide (CAS 32476-26-9), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: 9-oxa-3λ6-thiatricyclo[4.2.1.02,5]non-7-ene 3,3-dioxide.
Chemical Property Profile of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide
Property Insights of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide
The XLogP value of -0.4 indicates that 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide 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 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide?
The CAS number of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide is 32476-26-9.
What is the molecular formula of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide?
The molecular formula of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide is C7H8O3S.
What is the molecular weight of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide?
The molecular weight of 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide is 172.02 g/mol.
Where can I buy 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide?
You can request a quote for 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxa-3-thiatricyclo(4.2.1.0(2,5))non-7-ene 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.