Boc-D-phenylalanine methyl ester
TL;DR: Boc-D-phenylalanine methyl ester (CAS 77119-84-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: BOC-D-PHE-OME, BOC-D-PHENYLALANINE METHYL ESTER, Boc-DPhe-OMe, (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate, Methyl (tert-butoxycarbonyl)-D-phenylalaninate
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 77119-84-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC |
| InChIKey | SDSWSVBXRBXPRL-GFCCVEGCSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Boc-D-phenylalanine methyl ester (CAS 77119-84-7), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of Boc-D-phenylalanine methyl ester
Property Insights of Boc-D-phenylalanine methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-D-phenylalanine methyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-D-phenylalanine methyl ester. Following Lipinski's Rule of Five, Boc-D-phenylalanine methyl ester has 1 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 Boc-D-phenylalanine methyl ester?
The CAS number of Boc-D-phenylalanine methyl ester is 77119-84-7.
What is the molecular formula of Boc-D-phenylalanine methyl ester?
The molecular formula of Boc-D-phenylalanine methyl ester is C15H21NO4.
What is the molecular weight of Boc-D-phenylalanine methyl ester?
The molecular weight of Boc-D-phenylalanine methyl ester is 279.15 g/mol.
Where can I buy Boc-D-phenylalanine methyl ester?
You can request a quote for Boc-D-phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-D-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boc-D-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.