![ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate structure](/static/products/866/866134-51-2.png)
ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866134-51-2) is a chemical compound with molecular formula C18H18ClNO6S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, 7X-0248, ethyl 6-chloro-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate, ethyl 6-chloro-4-(4-methoxybenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 6-chloro-4-(4-methoxybenzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C18H18ClNO6S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 2.868 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.05432 |
| Heavy Atoms | 27 |
| Complexity | 944.8243 |
Chemical Identifiers
| CAS Number | 866134-51-2 |
|---|---|
| SMILES | CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 866134-51-2), with molecular formula C18H18ClNO6S and molecular weight 411.05 g/mol. IUPAC: ethyl 6-chloro-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 2.868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 0 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-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 866134-51-2.
What is the molecular formula of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C18H18ClNO6S.
What is the molecular weight of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 411.05 g/mol.
Where can I buy ethyl 6-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for ethyl 6-chloro-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-chloro-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-chloro-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.