![ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate structure](/static/products/7208/72082-38-3.webp)
ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate
TL;DR: ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate (CAS 72082-38-3) is a chemical compound with molecular formula C13H16N4O6S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate
Also Known As: ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate, ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carboth, Ethyl [3-(diacetylamino)-1-methyl-4-nitro-1H-pyrrole-2-carbothioyl]carbamate
| Molecular Formula | C13H16N4O6S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 1.2543 |
| Topological Polar Surface Area | 123.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.07904 |
| Heavy Atoms | 24 |
| Complexity | 712.2893 |
Chemical Identifiers
| CAS Number | 72082-38-3 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=C(C(=CN1C)[N+](=O)[O-])N(C(=O)C)C(=O)C |
Product Overview
ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate (CAS 72082-38-3), with molecular formula C13H16N4O6S and molecular weight 356.08 g/mol. IUPAC: ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate.
Chemical Property Profile of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate
Property Insights of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate
The XLogP value of 1.2543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate. The TPSA of 123.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]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 N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate?
The CAS number of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate is 72082-38-3.
What is the molecular formula of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate?
The molecular formula of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate is C13H16N4O6S.
What is the molecular weight of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate?
The molecular weight of ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate is 356.08 g/mol.
Where can I buy ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate?
You can request a quote for ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[3-(diacetylamino)-1-methyl-4-nitropyrrole-2-carbothioyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.