tert-Butyloxycarbonyl-leucylphenylalanine methyl ester
TL;DR: tert-Butyloxycarbonyl-leucylphenylalanine methyl ester (CAS 5874-73-7) is a chemical compound with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
Also Known As: Boc-leu-phe-ome, (S)-Methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-4-methylpentanamido)-3-phenylpropanoate, tert-Butyloxycarbonyl-leucylphenylalanine methyl ester, N-tert-Butoxycarbonyl-L-leucyl-L-phenylalanine methyl ester, J1.713.773E
| Molecular Formula | C21H32N2O5 |
|---|---|
| Molecular Weight | 392.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 392.2311 |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 5874-73-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | VSHDSIZCAIEPCM-IRXDYDNUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyloxycarbonyl-leucylphenylalanine methyl ester (CAS 5874-73-7), with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol. IUPAC: methyl (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester
Property Insights of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester
The XLogP value of 3.6 indicates that tert-Butyloxycarbonyl-leucylphenylalanine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyloxycarbonyl-leucylphenylalanine methyl ester. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-leucylphenylalanine methyl ester 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-Butyloxycarbonyl-leucylphenylalanine methyl ester?
The CAS number of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester is 5874-73-7.
What is the molecular formula of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester?
The molecular formula of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester is C21H32N2O5.
What is the molecular weight of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester?
The molecular weight of tert-Butyloxycarbonyl-leucylphenylalanine methyl ester is 392.23 g/mol.
Where can I buy tert-Butyloxycarbonyl-leucylphenylalanine methyl ester?
You can request a quote for tert-Butyloxycarbonyl-leucylphenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonyl-leucylphenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonyl-leucylphenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.