Methyl n-(tert-butoxycarbonyl)valyltryptophanate
TL;DR: Methyl n-(tert-butoxycarbonyl)valyltryptophanate (CAS 41863-58-5) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
Also Known As: Boc-L-Val-L-Trp-OMe, methyl n-(tert-butoxycarbonyl)valyltryptophanate, methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate, methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-(tert-butoxycarbonylamino)butanoyl]amino]propanoate
| Molecular Formula | C22H31N3O5 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.22638 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 41863-58-5 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | AIHJFGQZJBMYEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl n-(tert-butoxycarbonyl)valyltryptophanate (CAS 41863-58-5), with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate.
Chemical Property Profile of Methyl n-(tert-butoxycarbonyl)valyltryptophanate
Property Insights of Methyl n-(tert-butoxycarbonyl)valyltryptophanate
The XLogP value of 3.1 indicates that Methyl n-(tert-butoxycarbonyl)valyltryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl n-(tert-butoxycarbonyl)valyltryptophanate. Following Lipinski's Rule of Five, Methyl n-(tert-butoxycarbonyl)valyltryptophanate 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)valyltryptophanate?
The CAS number of Methyl n-(tert-butoxycarbonyl)valyltryptophanate is 41863-58-5.
What is the molecular formula of Methyl n-(tert-butoxycarbonyl)valyltryptophanate?
The molecular formula of Methyl n-(tert-butoxycarbonyl)valyltryptophanate is C22H31N3O5.
What is the molecular weight of Methyl n-(tert-butoxycarbonyl)valyltryptophanate?
The molecular weight of Methyl n-(tert-butoxycarbonyl)valyltryptophanate is 417.23 g/mol.
Where can I buy Methyl n-(tert-butoxycarbonyl)valyltryptophanate?
You can request a quote for Methyl n-(tert-butoxycarbonyl)valyltryptophanate 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)valyltryptophanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl n-(tert-butoxycarbonyl)valyltryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.