Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate
TL;DR: Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate (CAS 72156-60-6) is a chemical compound with molecular formula C23H33N3O5 and molecular weight 431.24 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]-3-methylpentanoate
Also Known As: Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate, methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoate
| Molecular Formula | C23H33N3O5 |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.24203 |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 72156-60-6 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C |
| InChIKey | DCPJYXNXXNUCGB-UHFFFAOYSA-N |
Product Overview
Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate (CAS 72156-60-6), with molecular formula C23H33N3O5 and molecular weight 431.24 g/mol. IUPAC: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoate.
Chemical Property Profile of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate
Property Insights of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate
The XLogP value of 3.6 indicates that Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate 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)tryptophylisoleucinate. Following Lipinski's Rule of Five, Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate 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)tryptophylisoleucinate?
The CAS number of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate is 72156-60-6.
What is the molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate?
The molecular formula of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate is C23H33N3O5.
What is the molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate?
The molecular weight of Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate is 431.24 g/mol.
Where can I buy Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate?
You can request a quote for Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate 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)tryptophylisoleucinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(tert-butoxycarbonyl)tryptophylisoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.