(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid
TL;DR: (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid (CAS 269396-60-3) is a chemical compound with molecular formula C25H21F2NO4 and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-(3,4-difluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Also Known As: (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid, Fmoc-beta-HPhe(3,4-diF)-OH, Fmoc-?-Homophe(3,4-DiF)-OH, Fmoc-(S)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid, Fmoc-
| Molecular Formula | C25H21F2NO4 |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 4.8893 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14386 |
| Heavy Atoms | 32 |
| Complexity | 1118.6838 |
Chemical Identifiers
| CAS Number | 269396-60-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)F)F)CC(=O)O |
Product Overview
(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid (CAS 269396-60-3), with molecular formula C25H21F2NO4 and molecular weight 437.14 g/mol. IUPAC: (3S)-4-(3,4-difluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid
Property Insights of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid
The XLogP value of 4.8893 indicates that (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid. Following Lipinski's Rule of Five, (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid 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 (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid?
The CAS number of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid is 269396-60-3.
What is the molecular formula of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid?
The molecular formula of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid is C25H21F2NO4.
What is the molecular weight of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid?
The molecular weight of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid is 437.14 g/mol.
Where can I buy (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid?
You can request a quote for (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)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-(3,4-difluorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-difluorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.