Azidobenzamido 008
TL;DR: Azidobenzamido 008 (CAS 113400-63-8) is a chemical compound with molecular formula C53H60N12O9 and molecular weight 1008.46063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[15-[(4-acetamidophenyl)methyl]-3-benzyl-12-(1-hydroxyethyl)-6-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]butyl]-4-azidobenzamide
Also Known As: Cyclo-ptltpp, Azidobenzamido 008, Cyclo(phe(4-NH)Ac)-thr-lys-(CO(4-N3)C6H4)-trp-phe-pro, Cyclo(Phe-(4-NHAc)-Thr-Lys(CO(4-N3)C6H4)-Trp-Phe-Pro), Cyclo(phenylalanyl-(4-acetylamino)threonyl-lysyl-(4-azidobenzoyl)tryptophyl-phenylalanyl-prolyl)
Technical Specifications
| Molecular Formula | C53H60N12O9 |
| Molecular Weight | 1008.46063 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 274.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 1008.46063 Da |
| Heavy Atoms | 74 |
| Complexity | 2020.0 |
| SMILES | CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CC=C(C=C3)NC(=O)C)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65)CCCCNC(=O)C7=CC=C(C=C7)N=[N+]=[N-])O |
| InChIKey | MCRDZKUHIMEOGV-UHFFFAOYSA-N |
Chemical Property Profile of Azidobenzamido 008
Property Insights of Azidobenzamido 008
The XLogP value of 5.4 indicates that Azidobenzamido 008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 274.0 Ų indicates high polarity, suggesting Azidobenzamido 008 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azidobenzamido 008 has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Azidobenzamido 008?
The CAS number of Azidobenzamido 008 is 113400-63-8.
What is the molecular formula of Azidobenzamido 008?
The molecular formula of Azidobenzamido 008 is C53H60N12O9.
What is the molecular weight of Azidobenzamido 008?
The molecular weight of Azidobenzamido 008 is 1008.46063 g/mol.
Where can I buy Azidobenzamido 008?
You can request a quote for Azidobenzamido 008 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Azidobenzamido 008?
Yes, CoreyChem provides custom synthesis services for Azidobenzamido 008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.