![2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate structure](/static/products/446/446052-46-6.png)
2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate (CAS 446052-46-6) is a chemical compound with molecular formula C21H24BrNO5S and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 7-(benzenesulfonamido)heptanoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate, A2807/0118696, [2-(4-bromophenyl)-2-oxoethyl] 7-(benzenesulfonamido)heptanoate, 2-(4-BROMOPHENYL)-2-OXOETHYL 7-BENZENESULFONAMIDOHEPTANOATE
| Molecular Formula | C21H24BrNO5S |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 4.104 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 481.05585 |
| Heavy Atoms | 29 |
| Complexity | 898.4285 |
Chemical Identifiers
| CAS Number | 446052-46-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NCCCCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate (CAS 446052-46-6), with molecular formula C21H24BrNO5S and molecular weight 481.06 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 7-(benzenesulfonamido)heptanoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate
The XLogP value of 4.104 indicates that 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate has 1 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 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate is 446052-46-6.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate is C21H24BrNO5S.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate is 481.06 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.