Orthoesterol B disulfate
TL;DR: Orthoesterol B disulfate (CAS 131010-93-0) is a chemical compound with molecular formula C34H54O11S2-2 and molecular weight 702.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,7S,9S,10S,12S,16S,18S,22R)-1,3,7-trimethyl-22-[(2-methyl-1-propan-2-ylcyclopropyl)methyl]-20-propyl-9-sulfonatooxy-19,21,23-trioxahexacyclo[18.2.1.02,18.03,16.06,15.07,12]tricosan-10-yl] sulfate
Also Known As: Orthoesterol B disulfate, 6-Acetyl-2-methoxy-1-chlor-naphthalin, [(1-isopropyl-2-methyl-cyclopropyl)methyl-trimethyl-propyl-sulfooxy-[?]yl] hydrogen sulfate, (2S,3S,4aS,6aS,7S,8R,11aS,12aS,14aS)-4a,6a,7-Trimethyl-8-{[2-methyl-1-(propan-2-yl)cyclopropyl]methyl}-10-propyloctadecahydro-1H,10H-7,10-epoxynaphtho[2',1':4,5]indeno[2,1-d][1,3]dioxepine-2,3-diyl disulfate, [(1S,3S,7S,9S,10S,12S,16S,18S,22R)-1,3,7-trimethyl-22-[(2-methyl-1-propan-2-ylcyclopropyl)methyl]-20-propyl-9-sulfonatooxy-19,21,23-trioxahexacyclo[18.2.1.02,18.03,16.06,15.07,12]tricosan-10-yl] sulfate
| Molecular Formula | C34H54O11S2-2 |
|---|---|
| Molecular Weight | 702.31 g/mol |
| LogP | 5.655 |
| Topological Polar Surface Area | 160.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 702.3107 |
| Heavy Atoms | 47 |
| Complexity | 1469.5023 |
Chemical Identifiers
| CAS Number | 131010-93-0 |
|---|---|
| SMILES | CCCC12O[C@H]3C[C@H]4C5CC[C@H]6C[C@@H]([C@H](C[C@@]6(C5CC[C@@]4(C3[C@](O1)([C@H](O2)CC7(CC7C)C(C)C)C)C)C)OS(=O)(=O)[O-])OS(=O)(=O)[O-] |
Product Overview
Orthoesterol B disulfate (CAS 131010-93-0), with molecular formula C34H54O11S2-2 and molecular weight 702.31 g/mol. IUPAC: [(1S,3S,7S,9S,10S,12S,16S,18S,22R)-1,3,7-trimethyl-22-[(2-methyl-1-propan-2-ylcyclopropyl)methyl]-20-propyl-9-sulfonatooxy-19,21,23-trioxahexacyclo[18.2.1.02,18.03,16.06,15.07,12]tricosan-10-yl] sulfate.
Chemical Property Profile of Orthoesterol B disulfate
Property Insights of Orthoesterol B disulfate
The XLogP value of 5.655 indicates that Orthoesterol B disulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.55 Ų indicates high polarity, suggesting Orthoesterol B disulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orthoesterol B disulfate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orthoesterol B disulfate?
The CAS number of Orthoesterol B disulfate is 131010-93-0.
What is the molecular formula of Orthoesterol B disulfate?
The molecular formula of Orthoesterol B disulfate is C34H54O11S2-2.
What is the molecular weight of Orthoesterol B disulfate?
The molecular weight of Orthoesterol B disulfate is 702.31 g/mol.
Where can I buy Orthoesterol B disulfate?
You can request a quote for Orthoesterol B disulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orthoesterol B disulfate?
Yes, KEHONG BIO provides custom synthesis services for Orthoesterol B disulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.