![ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate structure](/static/products/866/866050-91-1.png)
ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866050-91-1) is a chemical compound with molecular formula C20H23NO8S2 and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate, ethyl 6-(ethanesulfonyl)-4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, 2H-1,4-Benzoxazine-2-carboxylic acid, 6-(ethylsulfonyl)-3,4-dihydro-4-[(4-methoxyphenyl)sulfonyl]-, ethyl ester, ethyl6-(ethanesulfonyl)-4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C20H23NO8S2 |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 2.0082 |
| Topological Polar Surface Area | 116.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.08652 |
| Heavy Atoms | 31 |
| Complexity | 1174.1606 |
Chemical Identifiers
| CAS Number | 866050-91-1 |
|---|---|
| SMILES | CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866050-91-1), with molecular formula C20H23NO8S2 and molecular weight 469.09 g/mol. IUPAC: ethyl 6-ethylsulfonyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 2.0082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 116.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 0 hydrogen bond donor(s) and 8 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-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 866050-91-1.
What is the molecular formula of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C20H23NO8S2.
What is the molecular weight of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 469.09 g/mol.
Where can I buy ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-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-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(ethylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.