![ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate structure](/static/products/5212/52121-09-2.webp)
ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
TL;DR: ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate (CAS 52121-09-2) is a chemical compound with molecular formula C12H17N5O6S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
Also Known As: ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate, Benzenecarbodithioic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy, ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl, Ethyl ({2-[(ethylcarbamoyl)imino]-5-nitro-1,3-thiazol-3(2H)-yl}acetyl)(methyl)carbamate, ETHYL N-[2-[(2Z)-2-(ETHYLCARBAMOYLIMINO)-5-NITRO-1,3-THIAZOL-3-YL]ACETYL]-N-METHYL-CARBAMATE
| Molecular Formula | C12H17N5O6S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.08997 |
| Heavy Atoms | 24 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 52121-09-2 |
|---|---|
| SMILES | CCNC(=O)N=C1N(C=C(S1)[N+](=O)[O-])CC(=O)N(C)C(=O)OCC |
| InChIKey | LMZLGXWJUGZVJB-UHFFFAOYSA-N |
Product Overview
ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate (CAS 52121-09-2), with molecular formula C12H17N5O6S and molecular weight 359.09 g/mol. IUPAC: ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate.
Chemical Property Profile of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
Property Insights of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate. The TPSA of 162.0 Ų indicates high polarity, suggesting ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate 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-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate?
The CAS number of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate is 52121-09-2.
What is the molecular formula of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate?
The molecular formula of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate is C12H17N5O6S.
What is the molecular weight of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate?
The molecular weight of ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate is 359.09 g/mol.
Where can I buy ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate?
You can request a quote for ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[2-[2-(ethylcarbamoylimino)-5-nitro-1,3-thiazol-3-yl]acetyl]-N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.