(S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate
TL;DR: (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate (CAS 956685-79-3) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[4-(2-oxochromen-3-yl)phenyl]carbamoylamino]propanoate
Also Known As: (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate, methyl N-{[4-(2-oxo-2H-chromen-3-yl)phenyl]carbamoyl}-L-alaninate, methyl (2S)-2-[[4-(2-oxochromen-3-yl)phenyl]carbamoylamino]propanoate
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.143 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 1040.1715 |
Chemical Identifiers
| CAS Number | 956685-79-3 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate (CAS 956685-79-3), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: methyl (2S)-2-[[4-(2-oxochromen-3-yl)phenyl]carbamoylamino]propanoate.
Chemical Property Profile of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate
Property Insights of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate
The XLogP value of 3.143 indicates that (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate has 2 hydrogen bond donor(s) and 5 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-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate?
The CAS number of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate is 956685-79-3.
What is the molecular formula of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate?
The molecular formula of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate is C20H18N2O5.
What is the molecular weight of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate?
The molecular weight of (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate is 366.12 g/mol.
Where can I buy (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate?
You can request a quote for (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)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-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(4-(2-oxo-2H-chromen-3-yl)phenyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.