(S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)
TL;DR: (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) (CAS 205652-54-6) is a chemical compound with molecular formula C18H22F2N2O5 and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S)-2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
Also Known As: cis-9-propenylcarbazole, L-2-Fluorophenylalanine hemihydrate, (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1), 2-Fluoro-L-phenylalanine hydrate (2:1), L-2-Fluorophenylalanine hemihydrate (E.E.)
| Molecular Formula | C18H22F2N2O5 |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 0.7355 |
| Topological Polar Surface Area | 158.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1497 |
| Heavy Atoms | 27 |
| Complexity | 694.53674 |
Chemical Identifiers
| CAS Number | 205652-54-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)F.C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)F.O |
Product Overview
(S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) (CAS 205652-54-6), with molecular formula C18H22F2N2O5 and molecular weight 384.15 g/mol. IUPAC: bis((2S)-2-amino-3-(2-fluorophenyl)propanoic acid);hydrate.
Chemical Property Profile of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)
Property Insights of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)
The XLogP value of 0.7355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1). The TPSA of 158.14 Ų indicates high polarity, suggesting (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) has 4 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)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)?
The CAS number of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) is 205652-54-6.
What is the molecular formula of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)?
The molecular formula of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) is C18H22F2N2O5.
What is the molecular weight of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)?
The molecular weight of (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) is 384.15 g/mol.
Where can I buy (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)?
You can request a quote for (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1)?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Amino-3-(2-fluorophenyl)propanoic acid hydrate(2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.