![[4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate structure](/static/products/559/55981-12-9.png)
[4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
TL;DR: [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CAS 55981-12-9) is a chemical compound with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
Also Known As: 4-acetoxy-N-(5-nitro-thiazol-2-yl)-benzamide, [4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] Acetate
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 2.2289 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 695.1734 |
Chemical Identifiers
| CAS Number | 55981-12-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-] |
Product Overview
[4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CAS 55981-12-9), with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol. IUPAC: [4-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.
Chemical Property Profile of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
Property Insights of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
The XLogP value of 2.2289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate 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 [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The CAS number of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is 55981-12-9.
What is the molecular formula of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The molecular formula of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is C12H9N3O5S.
What is the molecular weight of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
The molecular weight of [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is 307.03 g/mol.
Where can I buy [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
You can request a quote for [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.