(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
TL;DR: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid (CAS 269726-84-3) is a chemical compound with molecular formula C26H22N2O4 and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Also Known As: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(3-cyano-phenyl)-butyric acid, Fmoc-beta-HPhe(3-CN)-OH, Fmoc-, A-HoPhe(3-CN)-OH
| Molecular Formula | C26H22N2O4 |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 4.48278 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.15796 |
| Heavy Atoms | 32 |
| Complexity | 1152.6813 |
Chemical Identifiers
| CAS Number | 269726-84-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)C#N)CC(=O)O |
Product Overview
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid (CAS 269726-84-3), with molecular formula C26H22N2O4 and molecular weight 426.16 g/mol. IUPAC: (3S)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
Property Insights of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid
The XLogP value of 4.48278 indicates that (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid. Following Lipinski's Rule of Five, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid has 2 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 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The CAS number of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is 269726-84-3.
What is the molecular formula of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The molecular formula of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is C26H22N2O4.
What is the molecular weight of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
The molecular weight of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid is 426.16 g/mol.
Where can I buy (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
You can request a quote for (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.