1-Phenylpentene
TL;DR: 1-Phenylpentene (CAS 16053-90-0) is a chemical compound with molecular formula C24H29F3N2O4 and molecular weight 466.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-5-phenylpentan-3-yl]amino]butan-2-yl]carbamate
Also Known As: 1-Phenylpentene, benzyl[(1s)-2-methyl-1-{[(1s,2s)-3,3,3-trifluoro-2-hydroxy-1-(2-phenylethyl)propyl]carbamoyl}propyl]carbamate, Carbamic acid, ((1S)-2-methyl-1-((((1S,2S)-3,3,3-trifluoro-2-hydroxy-1-(2-phenylethyl)propyl)amino)carbonyl)propyl)-, phenylmethyl ester, Cbz-L-Val-[(1S,2S)-1-Phenethyl-2-hydroxy-3,3,3-trifluoropropyl]-NH2, (2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-5-phenylpentan-3-yl]butanimidic acid
| Molecular Formula | C24H29F3N2O4 |
|---|---|
| Molecular Weight | 466.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 466.20795 |
| Heavy Atoms | 33 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 16053-90-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)[C@@H](C(F)(F)F)O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PKJBFPYDNKWNHR-ACRUOGEOSA-N |
Product Overview
1-Phenylpentene (CAS 16053-90-0), with molecular formula C24H29F3N2O4 and molecular weight 466.21 g/mol. IUPAC: benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-5-phenylpentan-3-yl]amino]butan-2-yl]carbamate.
Chemical Property Profile of 1-Phenylpentene
Property Insights of 1-Phenylpentene
The XLogP value of 5.0 indicates that 1-Phenylpentene 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 1-Phenylpentene. Following Lipinski's Rule of Five, 1-Phenylpentene 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 1-Phenylpentene?
The CAS number of 1-Phenylpentene is 16053-90-0.
What is the molecular formula of 1-Phenylpentene?
The molecular formula of 1-Phenylpentene is C24H29F3N2O4.
What is the molecular weight of 1-Phenylpentene?
The molecular weight of 1-Phenylpentene is 466.21 g/mol.
Where can I buy 1-Phenylpentene?
You can request a quote for 1-Phenylpentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylpentene?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylpentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.