Z-Ile-ala-aib-ome
TL;DR: Z-Ile-ala-aib-ome (CAS 135788-75-9) is a chemical compound with molecular formula C26H40N4O7 and molecular weight 520.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
Also Known As: Z-Ile-ala-aib-ome, Z-L-Ile-L-Ala-Aib-Aib-OMe, Benzyloxycarbonyl-isoleucyl-alanyl-alpha-aminoisobutyryl-alpha-aminoisobutyrate methyl ester, methyl 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate, Methyl N-[(benzyloxy)carbonyl]-L-isoleucyl-L-alanyl-2-methylalanyl-2-methylalaninate
| Molecular Formula | C26H40N4O7 |
|---|---|
| Molecular Weight | 520.29 g/mol |
| LogP | 1.7948 |
| Topological Polar Surface Area | 151.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.2897 |
| Heavy Atoms | 37 |
| Complexity | 962.9317 |
Chemical Identifiers
| CAS Number | 135788-75-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCC1=CC=CC=C1 |
Product Overview
Z-Ile-ala-aib-ome (CAS 135788-75-9), with molecular formula C26H40N4O7 and molecular weight 520.29 g/mol. IUPAC: methyl 2-methyl-2-[[2-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate.
Chemical Property Profile of Z-Ile-ala-aib-ome
Property Insights of Z-Ile-ala-aib-ome
The XLogP value of 1.7948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Z-Ile-ala-aib-ome. The TPSA of 151.93 Ų indicates high polarity, suggesting Z-Ile-ala-aib-ome may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Z-Ile-ala-aib-ome has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Z-Ile-ala-aib-ome?
The CAS number of Z-Ile-ala-aib-ome is 135788-75-9.
What is the molecular formula of Z-Ile-ala-aib-ome?
The molecular formula of Z-Ile-ala-aib-ome is C26H40N4O7.
What is the molecular weight of Z-Ile-ala-aib-ome?
The molecular weight of Z-Ile-ala-aib-ome is 520.29 g/mol.
Where can I buy Z-Ile-ala-aib-ome?
You can request a quote for Z-Ile-ala-aib-ome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Z-Ile-ala-aib-ome?
Yes, KEHONG BIO provides custom synthesis services for Z-Ile-ala-aib-ome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.