Cyclotheonamide A
TL;DR: Cyclotheonamide A (CAS 129033-04-1) is a chemical compound with molecular formula C36H45N9O8 and molecular weight 731.3391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[12-benzyl-16-[3-(diaminomethylideneamino)propyl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,15,18-hexaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]formamide
Also Known As: Cyclotheonamide A, macrocyclic tripeptide motif, N-[12-benzyl-16-[3-(diaminomethylideneamino)propyl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,15,18-hexaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]formamide
Technical Specifications
| Molecular Formula | C36H45N9O8 |
| Molecular Weight | 731.3391 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 268.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 731.3391 Da |
| Heavy Atoms | 53 |
| Complexity | 1370.0 |
| SMILES | C1CC2C(=O)NC(C(=O)C(=O)NC(C(=O)NC(C=CC(=O)NCC(C(=O)N2C1)NC=O)CC3=CC=C(C=C3)O)CC4=CC=CC=C4)CCCN=C(N)N |
| InChIKey | CDWXSPKJKIUEQF-UHFFFAOYSA-N |
Chemical Property Profile of Cyclotheonamide A
Property Insights of Cyclotheonamide A
The XLogP value of -0.2 indicates that Cyclotheonamide A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.0 Ų indicates high polarity, suggesting Cyclotheonamide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclotheonamide A has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclotheonamide A?
The CAS number of Cyclotheonamide A is 129033-04-1.
What is the molecular formula of Cyclotheonamide A?
The molecular formula of Cyclotheonamide A is C36H45N9O8.
What is the molecular weight of Cyclotheonamide A?
The molecular weight of Cyclotheonamide A is 731.3391 g/mol.
Where can I buy Cyclotheonamide A?
You can request a quote for Cyclotheonamide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclotheonamide A?
Yes, CoreyChem provides custom synthesis services for Cyclotheonamide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.