![1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione structure](/static/products/3397/33973-62-5.webp)
1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione
TL;DR: 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione (CAS 33973-62-5) is a chemical compound with molecular formula C14H8O4S and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1'-spirobi[2,1λ4-benzoxathiole]-3,3'-dione
Also Known As: Spirosulfurane, 1,1'-spirobi[2,1, 1,1-benzoxathiole]-3,3'-dione, 1,1'-Spirobi[3H-2,1-benzoxathiole]-3,3'-dione, J1.040.375H
| Molecular Formula | C14H8O4S |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.01434 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 33973-62-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OS23C4=CC=CC=C4C(=O)O3 |
| InChIKey | OOFKNLYTNQZUAU-UHFFFAOYSA-N |
Product Overview
1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione (CAS 33973-62-5), with molecular formula C14H8O4S and molecular weight 272.01 g/mol. IUPAC: 1,1'-spirobi[2,1λ4-benzoxathiole]-3,3'-dione.
Chemical Property Profile of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione
Property Insights of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione
The XLogP value of 3.7 indicates that 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione has 0 hydrogen bond donor(s) and 5 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 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione?
The CAS number of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione is 33973-62-5.
What is the molecular formula of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione?
The molecular formula of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione is C14H8O4S.
What is the molecular weight of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione?
The molecular weight of 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione is 272.01 g/mol.
Where can I buy 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione?
You can request a quote for 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Spirobi[2,1lambda4-benzoxathiole]-3,3'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.