N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)
TL;DR: N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) (CAS 85975-14-0) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-oxo-3-phenylpropyl)amino]-3-phenylpropanoic acid;hydrochloride
Also Known As: N-(3-Oxo-3-phenylpropyl)-DL-phenylalanine hydrochloride, DL-Phenylalanine, N-(3-oxo-3-phenylpropyl)-, hydrochloride, N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1), N-(3-Oxo-3-phenylpropyl)-L-phenylalanine--hydrogen chloride (1/1), (2S)-2-[(3-oxo-3-phenylpropyl)amino]-3-phenylpropanoic acid hydrochloride
| Molecular Formula | C18H20ClNO3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.9667 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.11316 |
| Heavy Atoms | 23 |
| Complexity | 616.6785 |
Chemical Identifiers
| CAS Number | 85975-14-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NCCC(=O)C2=CC=CC=C2.Cl |
Product Overview
N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) (CAS 85975-14-0), with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol. IUPAC: (2S)-2-[(3-oxo-3-phenylpropyl)amino]-3-phenylpropanoic acid;hydrochloride.
Chemical Property Profile of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)
Property Insights of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)
The XLogP value of 2.9667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1). The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1). Following Lipinski's Rule of Five, N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) 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 N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)?
The CAS number of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) is 85975-14-0.
What is the molecular formula of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)?
The molecular formula of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) is C18H20ClNO3.
What is the molecular weight of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)?
The molecular weight of N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) is 333.11 g/mol.
Where can I buy N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)?
You can request a quote for N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Oxo-3-phenylpropyl)phenylalanine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.