1,8-Naphthosultone
TL;DR: 1,8-Naphthosultone (CAS 83-31-8) is a chemical compound with molecular formula C10H6O3S and molecular weight 206.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxa-3λ6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide
Also Known As: 1,8-Naphthosultone, Naphthosultone, 1,8-Naphthalenesultone, Naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide, 1,8-Naphthasultone
| Molecular Formula | C10H6O3S |
|---|---|
| Molecular Weight | 206.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.00377 |
| Heavy Atoms | 14 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 83-31-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)OS(=O)(=O)C3=CC=C2 |
| InChIKey | IEIADDVJUYQKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Naphthosultone (CAS 83-31-8), with molecular formula C10H6O3S and molecular weight 206.00 g/mol. IUPAC: 2-oxa-3λ6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide.
Chemical Property Profile of 1,8-Naphthosultone
Property Insights of 1,8-Naphthosultone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Naphthosultone. With a topological polar surface area (TPSA) of 51.8 Ų, 1,8-Naphthosultone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Naphthosultone 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 1,8-Naphthosultone?
The CAS number of 1,8-Naphthosultone is 83-31-8.
What is the molecular formula of 1,8-Naphthosultone?
The molecular formula of 1,8-Naphthosultone is C10H6O3S.
What is the molecular weight of 1,8-Naphthosultone?
The molecular weight of 1,8-Naphthosultone is 206.00 g/mol.
Where can I buy 1,8-Naphthosultone?
You can request a quote for 1,8-Naphthosultone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Naphthosultone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Naphthosultone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.