(S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate
TL;DR: (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate (CAS 958951-56-9) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
Also Known As: (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate, methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.1619 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 656.0534 |
Chemical Identifiers
| CAS Number | 958951-56-9 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 |
Product Overview
(S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate (CAS 958951-56-9), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate.
Chemical Property Profile of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate
Property Insights of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate
The XLogP value of 3.1619 indicates that (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate has 2 hydrogen bond donor(s) and 4 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-phenoxyphenyl)ureido)propanoate?
The CAS number of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate is 958951-56-9.
What is the molecular formula of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate?
The molecular formula of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate is C17H18N2O4.
What is the molecular weight of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate?
The molecular weight of (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate is 314.13 g/mol.
Where can I buy (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate?
You can request a quote for (S)-methyl 2-(3-(4-phenoxyphenyl)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-phenoxyphenyl)ureido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(4-phenoxyphenyl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.