ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866134-40-9) is a chemical compound with molecular formula C14H17NO6S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate, ethyl 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-(ethanesulfonyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate, ethyl6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C14H17NO6S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 1.1329 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.07767 |
| Heavy Atoms | 22 |
| Complexity | 726.84863 |
Chemical Identifiers
| CAS Number | 866134-40-9 |
|---|---|
| SMILES | CCOC(=O)C1(C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)CC)C |
Product Overview
ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866134-40-9), with molecular formula C14H17NO6S and molecular weight 327.08 g/mol. IUPAC: ethyl 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 1.1329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 1 hydrogen bond donor(s) and 6 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)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 866134-40-9.
What is the molecular formula of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C14H17NO6S.
What is the molecular weight of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 327.08 g/mol.
Where can I buy ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-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)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.