tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine
TL;DR: tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine (CAS 13682-25-2) is a chemical compound with molecular formula C17H25NO4S and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]-3-phenylpropanoic acid
Also Known As: Boc-ala-thiomethylene-phe-OH, Boc-ala-psi(CH2S)-phe-OH, tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine, 2-(2-hydroxy-4-nitrophenyl)isoindole-1,3-dione, 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]-3-phenylpropanoic acid
| Molecular Formula | C17H25NO4S |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.15042 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 13682-25-2 |
|---|---|
| SMILES | CC(CSC(CC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | OVCHOQCIFPQYAN-UHFFFAOYSA-N |
Product Overview
tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine (CAS 13682-25-2), with molecular formula C17H25NO4S and molecular weight 339.15 g/mol. IUPAC: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]-3-phenylpropanoic acid.
Chemical Property Profile of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine
Property Insights of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine
The XLogP value of 3.6 indicates that tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine. Following Lipinski's Rule of Five, tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine has 2 hydrogen bond donor(s) and 5 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 tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine?
The CAS number of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine is 13682-25-2.
What is the molecular formula of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine?
The molecular formula of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine is C17H25NO4S.
What is the molecular weight of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine?
The molecular weight of tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine is 339.15 g/mol.
Where can I buy tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine?
You can request a quote for tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for tert-Butoxycarbonylalanyl-psi-thiomethylene-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.