Phenylalanyl-3-thiaphenylalanine
TL;DR: Phenylalanyl-3-thiaphenylalanine (CAS 102582-51-4) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid
Also Known As: Phe-3-S-phe, Phenylalanyl-3-thiaphenylalanine, J2.494.132I, N-(L-Phenylalanyl)-beta-thia-L-phenylalanine, (2S)-(L-Phenylalanylamino)(phenylsulfanyl)acetic acid
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 1.8756 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 649.4028 |
Chemical Identifiers
| CAS Number | 102582-51-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](C(=O)O)SC2=CC=CC=C2)N |
Product Overview
Phenylalanyl-3-thiaphenylalanine (CAS 102582-51-4), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid.
Chemical Property Profile of Phenylalanyl-3-thiaphenylalanine
Property Insights of Phenylalanyl-3-thiaphenylalanine
The XLogP value of 1.8756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanyl-3-thiaphenylalanine. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanyl-3-thiaphenylalanine. Following Lipinski's Rule of Five, Phenylalanyl-3-thiaphenylalanine has 3 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 Phenylalanyl-3-thiaphenylalanine?
The CAS number of Phenylalanyl-3-thiaphenylalanine is 102582-51-4.
What is the molecular formula of Phenylalanyl-3-thiaphenylalanine?
The molecular formula of Phenylalanyl-3-thiaphenylalanine is C17H18N2O3S.
What is the molecular weight of Phenylalanyl-3-thiaphenylalanine?
The molecular weight of Phenylalanyl-3-thiaphenylalanine is 330.10 g/mol.
Where can I buy Phenylalanyl-3-thiaphenylalanine?
You can request a quote for Phenylalanyl-3-thiaphenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanyl-3-thiaphenylalanine?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanyl-3-thiaphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.