N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine
TL;DR: N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine (CAS 13123-01-8) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
Also Known As: Z-Phe-Ile-OH, Z-L-Phe-L-Ile-OH, Z-L-PHENYALANYL-L-ISOLEUCINE, N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine, carbobenzyloxy-l-phenylalanyl-l-isoleucine
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 13123-01-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | LFHIOOBWQJBUPB-VDGAXYAQSA-N |
Product Overview
N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine (CAS 13123-01-8), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: (2S,3S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid.
Chemical Property Profile of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine
Property Insights of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine
The XLogP value of 3.1 indicates that N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine. Following Lipinski's Rule of Five, N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine 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 N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine?
The CAS number of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine is 13123-01-8.
What is the molecular formula of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine?
The molecular formula of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine is C23H28N2O5.
What is the molecular weight of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine?
The molecular weight of N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine is 412.20 g/mol.
Where can I buy N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine?
You can request a quote for N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.