Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate (CAS 756841-41-5) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate, (2-amino-2-oxoethyl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.7413 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 892.26404 |
Chemical Identifiers
| CAS Number | 756841-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)N |
Product Overview
Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate (CAS 756841-41-5), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: (2-amino-2-oxoethyl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 1.7413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate has 2 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 Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate is 756841-41-5.
What is the molecular formula of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate is C17H16N2O5S.
What is the molecular weight of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate is 360.08 g/mol.
Where can I buy Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.