Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate
TL;DR: Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate (CAS 391868-10-3) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitrophenyl)carbamoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate, ethyl 2-{[(4-nitrophenyl)carbamoyl]amino}-4-phenyl-1,3-thiazole-5-carboxylate, F0466-0367, ethyl 2-[(4-nitrophenyl)carbamoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.539 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 1034.5128 |
Chemical Identifiers
| CAS Number | 391868-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate (CAS 391868-10-3), with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol. IUPAC: ethyl 2-[(4-nitrophenyl)carbamoylamino]-4-phenyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate
Property Insights of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate
The XLogP value of 4.539 indicates that Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate has 2 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 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate is 391868-10-3.
What is the molecular formula of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate is C19H16N4O5S.
What is the molecular weight of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate is 412.08 g/mol.
Where can I buy Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(4-nitrophenyl)ureido)-4-phenylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.