(S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate
TL;DR: (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate (CAS 956685-83-9) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoate
Also Known As: (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate, methyl N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbamoyl}-L-valinate, methyl (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoate
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.7791 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 1103.553 |
Chemical Identifiers
| CAS Number | 956685-83-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate (CAS 956685-83-9), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: methyl (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoate.
Chemical Property Profile of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate
Property Insights of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate
The XLogP value of 3.7791 indicates that (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate 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 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate 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 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate is 956685-83-9.
What is the molecular formula of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate is C22H22N2O5.
What is the molecular weight of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate is 394.15 g/mol.
Where can I buy (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 3-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.