Asoprisnil
TL;DR: Asoprisnil (CAS 199396-76-4) is a chemical compound with molecular formula C28H35NO4 and molecular weight 449.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Asoprisnil, Asoprisnilo, asoprisnilum, Asoprisnili ecamas, Asoprisnil [USAN]
| Molecular Formula | C28H35NO4 |
|---|---|
| Molecular Weight | 449.26 g/mol |
| LogP | 5.4258 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.25662 |
| Heavy Atoms | 33 |
| Complexity | 1022.8379 |
Chemical Identifiers
| CAS Number | 199396-76-4 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)C5=CC=C(C=C5)/C=N/O |
Product Overview
Asoprisnil (CAS 199396-76-4), with molecular formula C28H35NO4 and molecular weight 449.26 g/mol. IUPAC: (8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Asoprisnil
Property Insights of Asoprisnil
The XLogP value of 5.4258 indicates that Asoprisnil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Asoprisnil. Following Lipinski's Rule of Five, Asoprisnil has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asoprisnil?
The CAS number of Asoprisnil is 199396-76-4.
What is the molecular formula of Asoprisnil?
The molecular formula of Asoprisnil is C28H35NO4.
What is the molecular weight of Asoprisnil?
The molecular weight of Asoprisnil is 449.26 g/mol.
Where can I buy Asoprisnil?
You can request a quote for Asoprisnil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asoprisnil?
Yes, KEHONG BIO provides custom synthesis services for Asoprisnil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.