N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide
TL;DR: N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide (CAS 82653-02-9) is a chemical compound with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: J3.282.851E, N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide, D-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-, tert-butyl N-[(1S)-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamate, tert-butyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
| Molecular Formula | C23H29N3O4 |
|---|---|
| Molecular Weight | 411.22 g/mol |
| LogP | 2.3352 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.21582 |
| Heavy Atoms | 30 |
| Complexity | 847.7569 |
Chemical Identifiers
| CAS Number | 82653-02-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N |
Product Overview
N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide (CAS 82653-02-9), with molecular formula C23H29N3O4 and molecular weight 411.22 g/mol. IUPAC: tert-butyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide
Property Insights of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide
The XLogP value of 2.3352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide. Following Lipinski's Rule of Five, N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide has 3 hydrogen bond donor(s) and 4 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 N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide?
The CAS number of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide is 82653-02-9.
What is the molecular formula of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide?
The molecular formula of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide is C23H29N3O4.
What is the molecular weight of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide?
The molecular weight of N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide is 411.22 g/mol.
Where can I buy N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide?
You can request a quote for N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butoxycarbonyl)-L-phenylalanyl-D-phenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.