1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide
TL;DR: 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide (CAS 55039-44-6) is a chemical compound with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-methyl-3,3-dioxoindeno[1,2-d]oxathiin-9-one
Also Known As: 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide, 1-(bromomethyl)-4-methyl-3,3-dioxoindeno[1,2-d]oxathiin-9-one, 1-(bromomethyl)-4-methyl-3,3-dioxo-indeno[1,2-d]oxathiin-9-one, 1-(bromomethyl)-4-methyl-3,3-dioxoindeno[1,2-d]oxathiin-9-on, Phosphoramidohydrazidothioic acid,N-(1-methylethyl)-,O-ethyl ester
| Molecular Formula | C13H9BrO4S |
|---|---|
| Molecular Weight | 339.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.9405 |
| Heavy Atoms | 19 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 55039-44-6 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C(=O)C2=C(OS1(=O)=O)CBr |
| InChIKey | RUGGDSLNLDLGRK-UHFFFAOYSA-N |
Product Overview
1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide (CAS 55039-44-6), with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol. IUPAC: 1-(bromomethyl)-4-methyl-3,3-dioxoindeno[1,2-d]oxathiin-9-one.
Chemical Property Profile of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide
Property Insights of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide has 0 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 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide?
The CAS number of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide is 55039-44-6.
What is the molecular formula of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide?
The molecular formula of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide is C13H9BrO4S.
What is the molecular weight of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide?
The molecular weight of 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide is 339.94 g/mol.
Where can I buy 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide?
You can request a quote for 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 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 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-methyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.