![5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one structure](/static/products/133/13320-77-9.png)
5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one
TL;DR: 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one (CAS 13320-77-9) is a chemical compound with molecular formula C11H6O3S and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxybenzo[g][1,3]benzoxathiol-2-one
Also Known As: 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one, 5-hydroxybenzo[g][1,3]benzoxathiol-2-one, 5-Hydroxy-naphtho[2,1-d][1,3]oxathiol-2-one, 5-Hydroxynaphtho[2,1-d][1,3]oxathiol-2-one #, 5-hydroxy-2H-naphtho[2,1-d][1,3]oxathiol-2-one
| Molecular Formula | C11H6O3S |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.00377 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 13320-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C2OC(=O)S3)O |
| InChIKey | BHVUYDKBLZOWEY-UHFFFAOYSA-N |
Product Overview
5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one (CAS 13320-77-9), with molecular formula C11H6O3S and molecular weight 218.00 g/mol. IUPAC: 5-hydroxybenzo[g][1,3]benzoxathiol-2-one.
Chemical Property Profile of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one
Property Insights of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one
The XLogP value of 3.1 indicates that 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one. Following Lipinski's Rule of Five, 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one has 1 hydrogen bond donor(s) and 4 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 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one?
The CAS number of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one is 13320-77-9.
What is the molecular formula of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one?
The molecular formula of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one is C11H6O3S.
What is the molecular weight of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one?
The molecular weight of 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one is 218.00 g/mol.
Where can I buy 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one?
You can request a quote for 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxynaphth[2,1-d]1,3-oxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.