Bis(14-thiadaunomycin)
TL;DR: Bis(14-thiadaunomycin) (CAS 116978-91-7) is a chemical compound with molecular formula C62H70N4O22S2 and molecular weight 1286.3923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis[2-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl]sulfanylethyl]butanediamide
Also Known As: Bis(14-thiadaunomycin), Cyclopropylmalononitrile, N,N'-bis[2-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl]sulfanylethyl]butanediamide, Butanediamide, N,N'-bis(2-((2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl)thio)ethyl)-, (2S-(2alpha,2(2R*,4R*),4alpha))-
Technical Specifications
| Molecular Formula | C62H70N4O22S2 |
| Molecular Weight | 1286.3923 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 480.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Exact Mass | 1286.3923 Da |
| Heavy Atoms | 90 |
| Complexity | 2490.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSCCNC(=O)CCC(=O)NCCSCC(=O)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)O)N)O |
| InChIKey | QRRWKTLCKQSSAZ-UHFFFAOYSA-N |
Chemical Property Profile of Bis(14-thiadaunomycin)
Property Insights of Bis(14-thiadaunomycin)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(14-thiadaunomycin). The TPSA of 480.0 Ų indicates high polarity, suggesting Bis(14-thiadaunomycin) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(14-thiadaunomycin) has 12 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(14-thiadaunomycin)?
The CAS number of Bis(14-thiadaunomycin) is 116978-91-7.
What is the molecular formula of Bis(14-thiadaunomycin)?
The molecular formula of Bis(14-thiadaunomycin) is C62H70N4O22S2.
What is the molecular weight of Bis(14-thiadaunomycin)?
The molecular weight of Bis(14-thiadaunomycin) is 1286.3923 g/mol.
Where can I buy Bis(14-thiadaunomycin)?
You can request a quote for Bis(14-thiadaunomycin) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(14-thiadaunomycin)?
Yes, CoreyChem provides custom synthesis services for Bis(14-thiadaunomycin) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.