Oxostephabenine
TL;DR: Oxostephabenine (CAS 99964-46-2) is a chemical compound with molecular formula C27H27NO8 and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(11R,15S,16S)-14,15-dimethoxy-20-methyl-19-oxo-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] benzoate
Also Known As: Oxostephabenine, 16-Oxostephabenine, N,O-Dimethyloxostephine benzoate
| Molecular Formula | C27H27NO8 |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.17368 |
| Heavy Atoms | 36 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 99964-46-2 |
|---|---|
| SMILES | CN1C(=O)CC23C14C[C@H](C5=CC6=C(C=C52)OCO6)OC4([C@H]([C@H](C3)OC(=O)C7=CC=CC=C7)OC)OC |
| InChIKey | RENGMXWYDJJRAP-AVUAEGJXSA-N |
Product Overview
Oxostephabenine (CAS 99964-46-2), with molecular formula C27H27NO8 and molecular weight 493.17 g/mol. IUPAC: [(11R,15S,16S)-14,15-dimethoxy-20-methyl-19-oxo-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] benzoate.
Chemical Property Profile of Oxostephabenine
Property Insights of Oxostephabenine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxostephabenine. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxostephabenine. Following Lipinski's Rule of Five, Oxostephabenine has 0 hydrogen bond donor(s) and 8 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 Oxostephabenine?
The CAS number of Oxostephabenine is 99964-46-2.
What is the molecular formula of Oxostephabenine?
The molecular formula of Oxostephabenine is C27H27NO8.
What is the molecular weight of Oxostephabenine?
The molecular weight of Oxostephabenine is 493.17 g/mol.
Where can I buy Oxostephabenine?
You can request a quote for Oxostephabenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxostephabenine?
Yes, KEHONG BIO provides custom synthesis services for Oxostephabenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.