4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione
TL;DR: 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione (CAS 64883-15-4) is a chemical compound with molecular formula C4H5BrO3S and molecular weight 211.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-methyl-5H-oxathiole 2,2-dioxide
Also Known As: 4-bromo-5-methyl-5H-oxathiole 2,2-dioxide, 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione
| Molecular Formula | C4H5BrO3S |
|---|---|
| Molecular Weight | 211.91 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.91428 |
| Heavy Atoms | 9 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 64883-15-4 |
|---|---|
| SMILES | CC1C(=CS(=O)(=O)O1)Br |
| InChIKey | HWUKUHHFFWDNDE-UHFFFAOYSA-N |
Product Overview
4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione (CAS 64883-15-4), with molecular formula C4H5BrO3S and molecular weight 211.91 g/mol. IUPAC: 4-bromo-5-methyl-5H-oxathiole 2,2-dioxide.
Chemical Property Profile of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione
Property Insights of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione 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 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione?
The CAS number of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione is 64883-15-4.
What is the molecular formula of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione?
The molecular formula of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione is C4H5BrO3S.
What is the molecular weight of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione?
The molecular weight of 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione is 211.91 g/mol.
Where can I buy 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione?
You can request a quote for 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-methyl-1,2lambda~6~-oxathiole-2,2(5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.