Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate
TL;DR: Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate (CAS 100796-84-7) is a chemical compound with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
Also Known As: BAS 02140146, BIM-0045977.P001, ETHYL 4-((2-PYRIMIDINYLAMINO)SULFONYL)PHENYLCARBAMATE, ethyl [4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate, ethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
| Molecular Formula | C13H14N4O4S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.07358 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 100796-84-7 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 |
| InChIKey | KCGRRSBXPMGGCE-UHFFFAOYSA-N |
Product Overview
Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate (CAS 100796-84-7), with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol. IUPAC: ethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate.
Chemical Property Profile of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate
Property Insights of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate. Following Lipinski's Rule of Five, Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate has 2 hydrogen bond donor(s) and 7 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 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate?
The CAS number of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate is 100796-84-7.
What is the molecular formula of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate?
The molecular formula of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate is C13H14N4O4S.
What is the molecular weight of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate?
The molecular weight of Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate is 322.07 g/mol.
Where can I buy Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate?
You can request a quote for Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-pyrimidinylamino)sulfonyl)phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.