![7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide structure](/static/products/7147/71473-43-3.webp)
7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide
TL;DR: 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide (CAS 71473-43-3) is a chemical compound with molecular formula C13H14O3S and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide
Also Known As: 7-methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide, 7-methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-diox, 7-methoxy-2,3a,4,5-tetrahydrobenzo[e]benzothiophene 3,3-dioxide, 7-Methoxy-2,3a,4,5-tetrahydronaphtho[2,1-b]thiophene 3,3-dioxide, 7-Methoxy-2,3a,4,5-tetrahydro-3H-3lambda~6~-naphtho[2,1-b]thiophene-3,3-dione
| Molecular Formula | C13H14O3S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.06636 |
| Heavy Atoms | 17 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 71473-43-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=CCS(=O)(=O)C3CC2 |
| InChIKey | DNMXHYZIDASADE-UHFFFAOYSA-N |
Product Overview
7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide (CAS 71473-43-3), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: 7-methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide.
Chemical Property Profile of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide
Property Insights of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide. With a topological polar surface area (TPSA) of 51.8 Ų, 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 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 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide?
The CAS number of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide is 71473-43-3.
What is the molecular formula of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide?
The molecular formula of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide is C13H14O3S.
What is the molecular weight of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide?
The molecular weight of 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide is 250.07 g/mol.
Where can I buy 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide?
You can request a quote for 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 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 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-2,3a,4,5-tetrahydrobenzo[e][1]benzothiole 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.