Estramustine Phosphate Sodium
TL;DR: Estramustine Phosphate Sodium (CAS 1227300-83-5) is a chemical compound with molecular formula C23H30Cl2NNa2O6P and molecular weight 563.0983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate
Also Known As: Estramustine phosphate sodium, Emcyt, Estracyt, Estramustine sodium phosphate, estramustine
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H30Cl2NNa2O6P |
| Molecular Weight | 563.0983 g/mol |
| XLogP | -1.957 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.0983 Da |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] |
| InChIKey | IIUMCNJTGSMNRO-VVSKJQCTSA-L |
Chemical Property Profile of Estramustine Phosphate Sodium
Property Insights of Estramustine Phosphate Sodium
The XLogP value of -1.957 indicates that Estramustine Phosphate Sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estramustine Phosphate Sodium. Following Lipinski's Rule of Five, Estramustine Phosphate Sodium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Estramustine Phosphate Sodium?
The CAS number of Estramustine Phosphate Sodium is 1227300-83-5.
What is the molecular formula of Estramustine Phosphate Sodium?
The molecular formula of Estramustine Phosphate Sodium is C23H30Cl2NNa2O6P.
What is the molecular weight of Estramustine Phosphate Sodium?
The molecular weight of Estramustine Phosphate Sodium is 563.0983 g/mol.
Where can I buy Estramustine Phosphate Sodium?
You can request a quote for Estramustine Phosphate Sodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estramustine Phosphate Sodium?
Yes, CoreyChem provides custom synthesis services for Estramustine Phosphate Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.