Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate
TL;DR: Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate (CAS 18671-06-2) is a chemical compound with molecular formula C21H31N3O6 and molecular weight 421.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoate
Also Known As: Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate, benzyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoate, Benzyl 2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]propanoate
| Molecular Formula | C21H31N3O6 |
|---|---|
| Molecular Weight | 421.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 421.22128 |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 18671-06-2 |
|---|---|
| SMILES | CC(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)OC(C)(C)C |
| InChIKey | IRBADJFKHSPLPA-UHFFFAOYSA-N |
Product Overview
Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate (CAS 18671-06-2), with molecular formula C21H31N3O6 and molecular weight 421.22 g/mol. IUPAC: benzyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoate.
Chemical Property Profile of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate
Property Insights of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate. Following Lipinski's Rule of Five, Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate has 3 hydrogen bond donor(s) and 6 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 Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate?
The CAS number of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate is 18671-06-2.
What is the molecular formula of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate?
The molecular formula of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate is C21H31N3O6.
What is the molecular weight of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate?
The molecular weight of Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate is 421.22 g/mol.
Where can I buy Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate?
You can request a quote for Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-(tert-butoxycarbonyl)alanylalanylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.