![Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate structure](/static/products/371/371780-83-5.png)
Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate
TL;DR: Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate (CAS 371780-83-5) is a chemical compound with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxypropanoate
Also Known As: methyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxypropanoate, methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate, Methyl 2-(benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxy-propanoate
| Molecular Formula | C18H14F3N3O4S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.9284 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.0657 |
| Heavy Atoms | 29 |
| Complexity | 992.86816 |
Chemical Identifiers
| CAS Number | 371780-83-5 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC(=O)NC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3 |
Product Overview
Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate (CAS 371780-83-5), with molecular formula C18H14F3N3O4S and molecular weight 425.07 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxypropanoate.
Chemical Property Profile of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate
Property Insights of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate
The XLogP value of 3.9284 indicates that Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate. Following Lipinski's Rule of Five, Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate has 2 hydrogen bond donor(s) and 6 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 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate?
The CAS number of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate is 371780-83-5.
What is the molecular formula of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate?
The molecular formula of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate is C18H14F3N3O4S.
What is the molecular weight of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate?
The molecular weight of Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate is 425.07 g/mol.
Where can I buy Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate?
You can request a quote for Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-(benzo[d]thiazol-2-yl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.