Valine, N-(3-oxo-3-phenylpropyl)-
TL;DR: Valine, N-(3-oxo-3-phenylpropyl)- (CAS 658709-87-6) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid
Also Known As: Valine, N-(3-oxo-3-phenylpropyl)-, Benzene,1-(1-butenyl)-4-nitro, N-(3-Oxo-3-phenylpropyl)-L-valine, (2S)-3-methyl-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid, 3-methyl-2-[(3-oxo-3-phenyl-propyl)amino]butanoic Acid
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 1.9582 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 400.75995 |
Chemical Identifiers
| CAS Number | 658709-87-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NCCC(=O)C1=CC=CC=C1 |
Product Overview
Valine, N-(3-oxo-3-phenylpropyl)- (CAS 658709-87-6), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: (2S)-3-methyl-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid.
Chemical Property Profile of Valine, N-(3-oxo-3-phenylpropyl)-
Property Insights of Valine, N-(3-oxo-3-phenylpropyl)-
The XLogP value of 1.9582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine, N-(3-oxo-3-phenylpropyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine, N-(3-oxo-3-phenylpropyl)-. Following Lipinski's Rule of Five, Valine, N-(3-oxo-3-phenylpropyl)- has 2 hydrogen bond donor(s) and 3 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 Valine, N-(3-oxo-3-phenylpropyl)-?
The CAS number of Valine, N-(3-oxo-3-phenylpropyl)- is 658709-87-6.
What is the molecular formula of Valine, N-(3-oxo-3-phenylpropyl)-?
The molecular formula of Valine, N-(3-oxo-3-phenylpropyl)- is C14H19NO3.
What is the molecular weight of Valine, N-(3-oxo-3-phenylpropyl)-?
The molecular weight of Valine, N-(3-oxo-3-phenylpropyl)- is 249.14 g/mol.
Where can I buy Valine, N-(3-oxo-3-phenylpropyl)-?
You can request a quote for Valine, N-(3-oxo-3-phenylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine, N-(3-oxo-3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Valine, N-(3-oxo-3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.