(S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate
TL;DR: (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate (CAS 958960-87-7) is a chemical compound with molecular formula C12H13F3N2O4 and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate
Also Known As: (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate, methyl (2S)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate
| Molecular Formula | C12H13F3N2O4 |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.08273 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 958960-87-7 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)OC(F)(F)F |
| InChIKey | QDQYOUOERAPIBE-ZETCQYMHSA-N |
Product Overview
(S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate (CAS 958960-87-7), with molecular formula C12H13F3N2O4 and molecular weight 306.08 g/mol. IUPAC: methyl (2S)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate.
Chemical Property Profile of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate
Property Insights of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate 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 (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate?
The CAS number of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate is 958960-87-7.
What is the molecular formula of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate?
The molecular formula of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate is C12H13F3N2O4.
What is the molecular weight of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate?
The molecular weight of (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate is 306.08 g/mol.
Where can I buy (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate?
You can request a quote for (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.