Adriamycin 14-thiopropionate
TL;DR: Adriamycin 14-thiopropionate (CAS 102045-67-0) is a chemical compound with molecular formula C29H31NO11S and molecular weight 601.1618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[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] ethanethioate
Also Known As: Adriamycin 14-thiopropionate, S-[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] ethanethioate, Ethanethioic acid, S-(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) ester, (2S-cis)-, S-(2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl) ethanethioate
Technical Specifications
| Molecular Formula | C29H31NO11S |
| Molecular Weight | 601.1618 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 601.1618 Da |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC(=O)C)O)N)O |
| InChIKey | CHQMQLOAJJBABN-UHFFFAOYSA-N |
Chemical Property Profile of Adriamycin 14-thiopropionate
Property Insights of Adriamycin 14-thiopropionate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adriamycin 14-thiopropionate. The TPSA of 228.0 Ų indicates high polarity, suggesting Adriamycin 14-thiopropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin 14-thiopropionate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adriamycin 14-thiopropionate?
The CAS number of Adriamycin 14-thiopropionate is 102045-67-0.
What is the molecular formula of Adriamycin 14-thiopropionate?
The molecular formula of Adriamycin 14-thiopropionate is C29H31NO11S.
What is the molecular weight of Adriamycin 14-thiopropionate?
The molecular weight of Adriamycin 14-thiopropionate is 601.1618 g/mol.
Where can I buy Adriamycin 14-thiopropionate?
You can request a quote for Adriamycin 14-thiopropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adriamycin 14-thiopropionate?
Yes, CoreyChem provides custom synthesis services for Adriamycin 14-thiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.