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Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate
TL;DR: Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate (CAS 2543-29-5) is a chemical compound with molecular formula C27H28N2O5 and molecular weight 460.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-phenyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate
Also Known As: Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate, N-benzyloxycarbonyl-L-alanyl-L-phenylalanine benzyl ester, benzyl 3-phenyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate, benzyl (2S)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-3-phenylpropanoate, L-Phenylalanine,N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, phenylmethyl ester (9CI)
| Molecular Formula | C27H28N2O5 |
|---|---|
| Molecular Weight | 460.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 460.19983 |
| Heavy Atoms | 34 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 2543-29-5 |
|---|---|
| SMILES | CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | SDIOGIKUWJQQCP-UHFFFAOYSA-N |
Product Overview
Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate (CAS 2543-29-5), with molecular formula C27H28N2O5 and molecular weight 460.20 g/mol. IUPAC: benzyl 3-phenyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate.
Chemical Property Profile of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate
Property Insights of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate
The XLogP value of 4.6 indicates that Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate. Following Lipinski's Rule of Five, Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate has 2 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 Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate?
The CAS number of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate is 2543-29-5.
What is the molecular formula of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate?
The molecular formula of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate is C27H28N2O5.
What is the molecular weight of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate?
The molecular weight of Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate is 460.20 g/mol.
Where can I buy Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate?
You can request a quote for Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-[(benzyloxy)carbonyl]alanylphenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.