ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866050-92-2) is a chemical compound with molecular formula C14H19NO7S2 and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate, 6X-0221, ethyl 6-(ethanesulfonyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl6-(ethanesulfonyl)-4-methanesulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C14H19NO7S2 |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 0.5703 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0603 |
| Heavy Atoms | 24 |
| Complexity | 845.87396 |
Chemical Identifiers
| CAS Number | 866050-92-2 |
|---|---|
| SMILES | CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C |
Product Overview
ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866050-92-2), with molecular formula C14H19NO7S2 and molecular weight 377.06 g/mol. IUPAC: ethyl 6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 0.5703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 107.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 0 hydrogen bond donor(s) and 7 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 ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 866050-92-2.
What is the molecular formula of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C14H19NO7S2.
What is the molecular weight of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 377.06 g/mol.
Where can I buy ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(ethylsulfonyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.