(S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate (CAS 956245-80-0) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]pentanoate
Also Known As: (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate, methyl N-{[3-(2-oxo-2H-chromen-3-yl)phenyl]carbamoyl}-L-leucinate, methyl (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]pentanoate
| Molecular Formula | C23H24N2O5 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 4.1692 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.16852 |
| Heavy Atoms | 30 |
| Complexity | 1119.7766 |
Chemical Identifiers
| CAS Number | 956245-80-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate (CAS 956245-80-0), with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol. IUPAC: methyl (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]pentanoate.
Chemical Property Profile of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate
The XLogP value of 4.1692 indicates that (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate 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 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate 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 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate is 956245-80-0.
What is the molecular formula of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate is C23H24N2O5.
What is the molecular weight of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate is 408.17 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-methyl-2-(3-(3-(2-oxo-2H-chromen-3-yl)phenyl)ureido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.