N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
TL;DR: N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) (CAS 34167-45-8) is a chemical compound with molecular formula C49H91N15O15 and molecular weight 1129.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide
Also Known As: N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
| Molecular Formula | C49H91N15O15 |
|---|---|
| Molecular Weight | 1129.68 g/mol |
| LogP | -7.8533 |
| Topological Polar Surface Area | 505.1 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1129.6819 |
| Heavy Atoms | 79 |
| Complexity | 2013.6239 |
Chemical Identifiers
| CAS Number | 34167-45-8 |
|---|---|
| SMILES | CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)C(C)O)CCN)CCN)C(C)O |
Product Overview
N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) (CAS 34167-45-8), with molecular formula C49H91N15O15 and molecular weight 1129.68 g/mol. IUPAC: N-[4-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3,12-bis(1-hydroxyethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide.
Chemical Property Profile of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
Property Insights of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
The XLogP value of -7.8533 indicates that N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 505.1 Ų indicates high polarity, suggesting N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) has 19 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)?
The CAS number of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) is 34167-45-8.
What is the molecular formula of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)?
The molecular formula of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) is C49H91N15O15.
What is the molecular weight of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)?
The molecular weight of N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) is 1129.68 g/mol.
Where can I buy N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)?
You can request a quote for N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)?
Yes, KEHONG BIO provides custom synthesis services for N2-(6-Methylheptanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.