tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide
TL;DR: tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide (CAS 34217-16-8) is a chemical compound with molecular formula C26H31N3O7 and molecular weight 497.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[[(2S)-1-oxo-1-(phenacylamino)-3-phenylpropan-2-yl]amino]butanoic acid
Also Known As: Boc-P-asp-pheamide, Boc-beta-phenacyl-aspartyl-phenylalanineamide, tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide, t-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide, L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-alpha-aspartyl-, 2-oxo-2-phenylethyl ester
| Molecular Formula | C26H31N3O7 |
|---|---|
| Molecular Weight | 497.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 497.2162 |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 34217-16-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)C2=CC=CC=C2 |
| InChIKey | KANKYQLSSLXILV-PMACEKPBSA-N |
Product Overview
tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide (CAS 34217-16-8), with molecular formula C26H31N3O7 and molecular weight 497.22 g/mol. IUPAC: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[[(2S)-1-oxo-1-(phenacylamino)-3-phenylpropan-2-yl]amino]butanoic acid.
Chemical Property Profile of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide
Property Insights of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide. The TPSA of 151.0 Ų indicates high polarity, suggesting tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide has 4 hydrogen bond donor(s) and 7 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-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide?
The CAS number of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide is 34217-16-8.
What is the molecular formula of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide?
The molecular formula of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide is C26H31N3O7.
What is the molecular weight of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide?
The molecular weight of tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide is 497.22 g/mol.
Where can I buy tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide?
You can request a quote for tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butoxycarbonyl-beta-phenacyl-aspartyl-phenylalanineamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.