2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate
TL;DR: 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate (CAS 312285-62-4) is a chemical compound with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate
Also Known As: AB00105618-01, 2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate, [(1,3,4-THIADIAZOL-2-YL)CARBAMOYL]METHYL 4-NITROBENZOATE, A1784/0075614, (N-(1,3,4-thiadiazol-2-yl)carbamoyl)methyl 4-nitrobenzoate
| Molecular Formula | C11H8N4O5S |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 1.2418 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.02155 |
| Heavy Atoms | 21 |
| Complexity | 655.76294 |
Chemical Identifiers
| CAS Number | 312285-62-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)NC2=NN=CS2)[N+](=O)[O-] |
Product Overview
2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate (CAS 312285-62-4), with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol. IUPAC: [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] 4-nitrobenzoate.
Chemical Property Profile of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate
Property Insights of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate
The XLogP value of 1.2418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate has 1 hydrogen bond donor(s) and 8 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 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate?
The CAS number of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate is 312285-62-4.
What is the molecular formula of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate?
The molecular formula of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate is C11H8N4O5S.
What is the molecular weight of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate?
The molecular weight of 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate is 308.02 g/mol.
Where can I buy 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate?
You can request a quote for 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.