Ecteinascidin 745
TL;DR: Ecteinascidin 745 (CAS 114899-28-4) is a chemical compound with molecular formula C39H43N3O10S and molecular weight 745.2669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R,3R,11S,14R,26R)-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
Also Known As: ecteinascidin 745
Technical Specifications
| Molecular Formula | C39H43N3O10S |
| Molecular Weight | 745.2669 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 745.2669 Da |
| Heavy Atoms | 53 |
| Complexity | 1410.0 |
| SMILES | CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4C[C@H](C2)N3C)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O |
| InChIKey | DZGBXOVHGNYJRY-KBVPHHNESA-N |
Chemical Property Profile of Ecteinascidin 745
Property Insights of Ecteinascidin 745
The XLogP value of 3.9 indicates that Ecteinascidin 745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting Ecteinascidin 745 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ecteinascidin 745 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ecteinascidin 745?
The CAS number of Ecteinascidin 745 is 114899-28-4.
What is the molecular formula of Ecteinascidin 745?
The molecular formula of Ecteinascidin 745 is C39H43N3O10S.
What is the molecular weight of Ecteinascidin 745?
The molecular weight of Ecteinascidin 745 is 745.2669 g/mol.
Where can I buy Ecteinascidin 745?
You can request a quote for Ecteinascidin 745 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ecteinascidin 745?
Yes, CoreyChem provides custom synthesis services for Ecteinascidin 745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.