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Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate
TL;DR: Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate (CAS 2955-74-0) is a chemical compound with molecular formula C9H10N2O7S and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(ethoxycarbonylamino) 4-nitrobenzenesulfonate
Also Known As: N-(p-nitrobenzenesulfonyloxy)urethane, ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate, (ethoxycarbonylamino) 4-nitrobenzenesulfonate, 4-Nitrophenylsulfonyloxycarbamic acid ethyl ester, Ethyl [(4-nitrobenzene-1-sulfonyl)oxy]carbamate
| Molecular Formula | C9H10N2O7S |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.02087 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 2955-74-0 |
|---|---|
| SMILES | CCOC(=O)NOS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XBTJZULRZQBGIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate (CAS 2955-74-0), with molecular formula C9H10N2O7S and molecular weight 290.02 g/mol. IUPAC: (ethoxycarbonylamino) 4-nitrobenzenesulfonate.
Chemical Property Profile of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate
Property Insights of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate. Following Lipinski's Rule of Five, Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate has 1 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-nitrophenyl)sulfonyl]oxy}carbamate?
The CAS number of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate is 2955-74-0.
What is the molecular formula of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate?
The molecular formula of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate is C9H10N2O7S.
What is the molecular weight of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate?
The molecular weight of Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate is 290.02 g/mol.
Where can I buy Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate?
You can request a quote for Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[(4-nitrophenyl)sulfonyl]oxy}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.