Estracyt
TL;DR: Estracyt (CAS 52205-73-9) is a chemical compound with molecular formula C23H30Cl2NNa2O6P and molecular weight 563.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[(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: Estracyt, Emcyt, Estramustine phosphate sodium, Estramustine phosphate disodium, Estramustine phosphate sodium [USAN:BAN:JAN]
| Molecular Formula | C23H30Cl2NNa2O6P |
|---|---|
| Molecular Weight | 563.10 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.0983 |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 52205-73-9 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+] |
| InChIKey | IIUMCNJTGSMNRO-YKQIATFDSA-L |
Product Overview
Estracyt (CAS 52205-73-9), with molecular formula C23H30Cl2NNa2O6P and molecular weight 563.10 g/mol. IUPAC: disodium;[(17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate.
Chemical Property Profile of Estracyt
Property Insights of Estracyt
The XLogP value of -1.96 indicates that Estracyt 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 Estracyt. Following Lipinski's Rule of Five, Estracyt has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estracyt?
The CAS number of Estracyt is 52205-73-9.
What is the molecular formula of Estracyt?
The molecular formula of Estracyt is C23H30Cl2NNa2O6P.
What is the molecular weight of Estracyt?
The molecular weight of Estracyt is 563.10 g/mol.
Where can I buy Estracyt?
You can request a quote for Estracyt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estracyt?
Yes, KEHONG BIO provides custom synthesis services for Estracyt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.