estramustine
TL;DR: estramustine (CAS 4891-15-0) is a chemical compound with molecular formula C23H32Cl2NO6P and molecular weight 519.13446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
Also Known As: estramustine, Estracyt, Emcyt (free acid), ESTRAMUSTINE PHOSPHATE, Leo 299
Technical Specifications
| Molecular Formula | C23H32Cl2NO6P |
| Molecular Weight | 519.13446 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.13446 Da |
| Heavy Atoms | 33 |
| Complexity | 746.0 |
| SMILES | CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl |
| InChIKey | ADFOJJHRTBFFOF-UHFFFAOYSA-N |
Product Description
Applications: estramustine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies estramustine (CAS 4891-15-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, estramustine (CAS 4891-15-0) has the molecular formula C23H32Cl2NO6P and a molecular weight of 519.13 g/mol. It is also known as estramustine and Estracyt.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of estramustine
Property Insights of estramustine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for estramustine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for estramustine. Following Lipinski's Rule of Five, estramustine has 2 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?
The CAS number of estramustine is 4891-15-0.
What is the molecular formula of estramustine?
The molecular formula of estramustine is C23H32Cl2NO6P.
What is the molecular weight of estramustine?
The molecular weight of estramustine is 519.13446 g/mol.
What are the applications of estramustine?
estramustine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies estramustine (CAS 4891-15-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy estramustine?
You can request a quote for estramustine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for estramustine?
Yes, CoreyChem provides custom synthesis services for estramustine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.