Phenylalanine 4-hydroxybutyl ester
TL;DR: Phenylalanine 4-hydroxybutyl ester (CAS 136680-70-1) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
Also Known As: Phe-hbe, Phenylalanine 4-hydroxybutyl ester, phenylalanine4-hydroxybutylester, 4-Hydroxybutyl L-phenylalaninate, 4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
Technical Specifications
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.13649 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 237.13649 Da |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OCCCCO)N |
| InChIKey | RPIZQTCVTPOZFI-LBPRGKRZSA-N |
Chemical Property Profile of Phenylalanine 4-hydroxybutyl ester
Property Insights of Phenylalanine 4-hydroxybutyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine 4-hydroxybutyl ester. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanine 4-hydroxybutyl ester. Following Lipinski's Rule of Five, Phenylalanine 4-hydroxybutyl ester 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
What is the CAS number of Phenylalanine 4-hydroxybutyl ester?
The CAS number of Phenylalanine 4-hydroxybutyl ester is 136680-70-1.
What is the molecular formula of Phenylalanine 4-hydroxybutyl ester?
The molecular formula of Phenylalanine 4-hydroxybutyl ester is C13H19NO3.
What is the molecular weight of Phenylalanine 4-hydroxybutyl ester?
The molecular weight of Phenylalanine 4-hydroxybutyl ester is 237.13649 g/mol.
Where can I buy Phenylalanine 4-hydroxybutyl ester?
You can request a quote for Phenylalanine 4-hydroxybutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylalanine 4-hydroxybutyl ester?
Yes, CoreyChem provides custom synthesis services for Phenylalanine 4-hydroxybutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.