O-Desmethyl-asoprisnil
TL;DR: O-Desmethyl-asoprisnil (CAS 222732-66-3) is a chemical compound with molecular formula C27H33NO4 and molecular weight 435.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,11R,13S,14S,17S)-17-hydroxy-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: O-Desmethyl-asoprisnil, J912, J-912, J1.398.667C, (E)-4-((8S,11R,13S,14S,17S)-17-HYDROXY-17-(METHOXYMETHYL)-13-METHYL-3-OXO-2,3,6,7,8,11,12,13,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-11-YL)BENZALDEHYDE OXIME
| Molecular Formula | C27H33NO4 |
|---|---|
| Molecular Weight | 435.24 g/mol |
| LogP | 4.7717 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.24097 |
| Heavy Atoms | 32 |
| Complexity | 1006.9876 |
Chemical Identifiers
| CAS Number | 222732-66-3 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)O)C5=CC=C(C=C5)/C=N/O |
Product Overview
O-Desmethyl-asoprisnil (CAS 222732-66-3), with molecular formula C27H33NO4 and molecular weight 435.24 g/mol. IUPAC: (8S,11R,13S,14S,17S)-17-hydroxy-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of O-Desmethyl-asoprisnil
Property Insights of O-Desmethyl-asoprisnil
The XLogP value of 4.7717 indicates that O-Desmethyl-asoprisnil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Desmethyl-asoprisnil. Following Lipinski's Rule of Five, O-Desmethyl-asoprisnil has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Desmethyl-asoprisnil?
The CAS number of O-Desmethyl-asoprisnil is 222732-66-3.
What is the molecular formula of O-Desmethyl-asoprisnil?
The molecular formula of O-Desmethyl-asoprisnil is C27H33NO4.
What is the molecular weight of O-Desmethyl-asoprisnil?
The molecular weight of O-Desmethyl-asoprisnil is 435.24 g/mol.
Where can I buy O-Desmethyl-asoprisnil?
You can request a quote for O-Desmethyl-asoprisnil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Desmethyl-asoprisnil?
Yes, KEHONG BIO provides custom synthesis services for O-Desmethyl-asoprisnil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.