![(2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid structure](/static/products/958/958960-73-1.png)
(2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid
TL;DR: (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid (CAS 958960-73-1) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid
Also Known As: (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid, (S)-3-methyl-2-(3-(4-phenoxyphenyl)ureido)butanoic acid, (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butyric acid, (2S)-3-methyl-2-[[oxo-(4-phenoxyanilino)methyl]amino]butanoic acid
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 958960-73-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2 |
| InChIKey | YCXZBTBXYJIWMI-INIZCTEOSA-N |
Product Overview
(2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid (CAS 958960-73-1), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid
Property Insights of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid
The XLogP value of 3.4 indicates that (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid has 3 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 (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid?
The CAS number of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid is 958960-73-1.
What is the molecular formula of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid?
The molecular formula of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid is C18H20N2O4.
What is the molecular weight of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid?
The molecular weight of (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid is 328.14 g/mol.
Where can I buy (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid?
You can request a quote for (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-[(4-phenoxyphenyl)carbamoylamino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.