雌莫司汀
TL;DR: 雌莫司汀 (CAS 4891-15-0) is a chemical compound with molecular formula C23H32Cl2NO6P and molecular weight 519.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌莫司汀
(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
| Molecular Formula | C23H32Cl2NO6P |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.13446 |
| Heavy Atoms | 33 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 4891-15-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl |
| InChIKey | ADFOJJHRTBFFOF-UHFFFAOYSA-N |
Product Overview
雌莫司汀 (CAS 4891-15-0), with molecular formula C23H32Cl2NO6P and molecular weight 519.13 g/mol. IUPAC: (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.
Chemical Property Profile of 雌莫司汀
Property Insights of 雌莫司汀
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 雌莫司汀. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 雌莫司汀. Following Lipinski's Rule of Five, 磷酸雌莫司汀 has 2 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 磷酸雌莫司汀?
The CAS number of 磷酸雌莫司汀 is 4891-15-0.
What is the molecular formula of 磷酸雌莫司汀?
The molecular formula of 磷酸雌莫司汀 is C23H32Cl2NO6P.
What is the molecular weight of 磷酸雌莫司汀?
The molecular weight of 磷酸雌莫司汀 is 519.13 g/mol.
Where can I buy 磷酸雌莫司汀?
You can request a quote for 磷酸雌莫司汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸雌莫司汀?
Yes, KEHONG BIO provides custom synthesis services for 磷酸雌莫司汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.