Ophirapstanol Trisulfate
TL;DR: Ophirapstanol Trisulfate (CAS 162232-39-5) is a chemical compound with molecular formula C31H53NaO12S3-2 and molecular weight 736.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ophirapstanol Trisulfate
sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(2R)-5,6,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate
Also Known As: Ophirapstanol trisulfate, Ophirapstanol trisulfate.3Na, 3,4-Dihydroxy-naphthalin-1-sulfonsaeure, 25-(1-Methylethyl)ergostane-2,3,6-triol tris(hydrogen sulfate), trisodium salt, (2beta,3alpha,6alpha,24xi)-, sodium;[(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(2R)-5,6,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate
| Molecular Formula | C31H53NaO12S3-2 |
|---|---|
| Molecular Weight | 736.26 g/mol |
| LogP | 2.1399 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 736.2597 |
| Heavy Atoms | 47 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 162232-39-5 |
|---|---|
| SMILES | C[C@H](CCC(C)C(C)(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C.[Na+] |
| InChIKey | AWEJMHFFJIHOBO-GMYSSTHYSA-K |
Product Overview
Ophirapstanol Trisulfate (CAS 162232-39-5), with molecular formula C31H53NaO12S3-2 and molecular weight 736.26 g/mol. IUPAC: sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(2R)-5,6,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate.
Chemical Property Profile of Ophirapstanol Trisulfate
Property Insights of Ophirapstanol Trisulfate
The XLogP value of 2.1399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ophirapstanol Trisulfate. The TPSA of 224.0 Ų indicates high polarity, suggesting Ophirapstanol Trisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ophirapstanol Trisulfate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ophirapstanol Trisulfate?
The CAS number of Ophirapstanol Trisulfate is 162232-39-5.
What is the molecular formula of Ophirapstanol Trisulfate?
The molecular formula of Ophirapstanol Trisulfate is C31H53NaO12S3-2.
What is the molecular weight of Ophirapstanol Trisulfate?
The molecular weight of Ophirapstanol Trisulfate is 736.26 g/mol.
Where can I buy Ophirapstanol Trisulfate?
You can request a quote for Ophirapstanol Trisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ophirapstanol Trisulfate?
Yes, KEHONG BIO provides custom synthesis services for Ophirapstanol Trisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.