ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866041-08-9) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-ethylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, 6-ETHANESULFONYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 1.2162 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 611.18756 |
Chemical Identifiers
| CAS Number | 866041-08-9 |
|---|---|
| SMILES | CCOC(=O)C1CNC2=C(O1)C=CC(=C2)S(=O)(=O)CC |
Product Overview
ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866041-08-9), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: ethyl 6-ethylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 1.2162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(ethylsulfonyl)-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)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 866041-08-9.
What is the molecular formula of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C13H17NO5S.
What is the molecular weight of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 299.08 g/mol.
Where can I buy ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for ethyl 6-(ethylsulfonyl)-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)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.