![Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate structure](/static/products/3494/349439-91-4.webp)
Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate (CAS 349439-91-4) is a chemical compound with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate, methyl 3-((4-(2-ethoxy-2-oxoethyl)thiazol-2-yl)carbamoyl)-5-nitrobenzoate, ethyl 2-(2-{[5-(methoxycarbonyl)-3-nitrophenyl]carbonylamino}-1,3-thiazol-4-yl )acetate, Methyl 3-[[4-(ethoxycarbonylmethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate, methyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}-5-nitrobenzoate
| Molecular Formula | C16H15N3O7S |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 2.1958 |
| Topological Polar Surface Area | 137.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.06308 |
| Heavy Atoms | 27 |
| Complexity | 893.8891 |
Chemical Identifiers
| CAS Number | 349439-91-4 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate (CAS 349439-91-4), with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol. IUPAC: methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
The XLogP value of 2.1958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate. The TPSA of 137.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate has 1 hydrogen bond donor(s) and 9 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 Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate is 349439-91-4.
What is the molecular formula of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate is C16H15N3O7S.
What is the molecular weight of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate is 393.06 g/mol.
Where can I buy Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.