Methyl N-(tert-butoxycarbonyl)tryptophylalaninate
TL;DR: Methyl N-(tert-butoxycarbonyl)tryptophylalaninate (CAS 63430-66-0) is a chemical compound with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
Also Known As: Boc-Trp-Ala-OMe, Methyl N-(tert-butoxycarbonyl)tryptophylalaninate, methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate, METHYL 2-[[3-(1H-INDOL-3-YL)-2-(BOC-AMINO)PROPANOYL]AMINO]PROPANOATE, Methyl 2-[[3-(1h-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate
| Molecular Formula | C20H27N3O5 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.19507 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 63430-66-0 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C |
| InChIKey | HZFZVKVJXSPTNY-UHFFFAOYSA-N |
Product Overview
Methyl N-(tert-butoxycarbonyl)tryptophylalaninate (CAS 63430-66-0), with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol. IUPAC: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate.
Chemical Property Profile of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate
Property Insights of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(tert-butoxycarbonyl)tryptophylalaninate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(tert-butoxycarbonyl)tryptophylalaninate. Following Lipinski's Rule of Five, Methyl N-(tert-butoxycarbonyl)tryptophylalaninate has 3 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 Methyl N-(tert-butoxycarbonyl)tryptophylalaninate?
The CAS number of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate is 63430-66-0.
What is the molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate?
The molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate is C20H27N3O5.
What is the molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate?
The molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylalaninate is 389.20 g/mol.
Where can I buy Methyl N-(tert-butoxycarbonyl)tryptophylalaninate?
You can request a quote for Methyl N-(tert-butoxycarbonyl)tryptophylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(tert-butoxycarbonyl)tryptophylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(tert-butoxycarbonyl)tryptophylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.