![4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid structure](/static/products/5874/5874-80-6.webp)
4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
TL;DR: 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid (CAS 5874-80-6) is a chemical compound with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
Also Known As: 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid, 2-[(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoyl)amino]-4-methoxy-4-oxobutanoic acid(non-preferred name)
| Molecular Formula | C22H24N2O7 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 428.15836 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 5874-80-6 |
|---|---|
| SMILES | COC(=O)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | FWKUJTQARCPILV-UHFFFAOYSA-N |
Product Overview
4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid (CAS 5874-80-6), with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol. IUPAC: 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid.
Chemical Property Profile of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
Property Insights of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid. Following Lipinski's Rule of Five, 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid has 3 hydrogen bond donor(s) and 7 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 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid?
The CAS number of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid is 5874-80-6.
What is the molecular formula of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid?
The molecular formula of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid is C22H24N2O7.
What is the molecular weight of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid?
The molecular weight of 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid is 428.16 g/mol.
Where can I buy 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid?
You can request a quote for 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-4-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.