![methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate structure](/static/products/865/865657-63-2.png)
methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
TL;DR: methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate (CAS 865657-63-2) is a chemical compound with molecular formula C17H16BrNO5S and molecular weight 424.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-bromophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
Also Known As: methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate, methyl 2-[4-(4-bromophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetate, methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, methyl2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, Methyl 2-[10-(4-bromophenyl)sulfonyl-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-9-yl]acetate
| Molecular Formula | C17H16BrNO5S |
|---|---|
| Molecular Weight | 424.99 g/mol |
| LogP | 2.9685 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.99326 |
| Heavy Atoms | 25 |
| Complexity | 882.16614 |
Chemical Identifiers
| CAS Number | 865657-63-2 |
|---|---|
| SMILES | COC(=O)CC1COC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate (CAS 865657-63-2), with molecular formula C17H16BrNO5S and molecular weight 424.99 g/mol. IUPAC: methyl 2-[4-(4-bromophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetate.
Chemical Property Profile of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
Property Insights of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate
The XLogP value of 2.9685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate. Following Lipinski's Rule of Five, methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate has 0 hydrogen bond donor(s) and 5 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 methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The CAS number of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is 865657-63-2.
What is the molecular formula of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The molecular formula of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is C17H16BrNO5S.
What is the molecular weight of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
The molecular weight of methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate is 424.99 g/mol.
Where can I buy methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
You can request a quote for methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.