Hippuristanol
TL;DR: Hippuristanol (CAS 80442-78-0) is a chemical compound with molecular formula C28H46O5 and molecular weight 462.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol
Also Known As: Hippuristanol, Desacetoxyhippurin 1, 22-epi-hippuristanol, (1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol, (22R,24S)-24-Methyl-5alpha-22,25-epoxyfurostan-3alpha,11beta,20-triol
| Molecular Formula | C28H46O5 |
|---|---|
| Molecular Weight | 462.33 g/mol |
| LogP | 4.268 |
| Topological Polar Surface Area | 79.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 462.33453 |
| Heavy Atoms | 33 |
| Complexity | 825.1054 |
Chemical Identifiers
| CAS Number | 80442-78-0 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@H](C6)O)C)O)C)(C)O)OC1(C)C |
Product Overview
Hippuristanol (CAS 80442-78-0), with molecular formula C28H46O5 and molecular weight 462.33 g/mol. IUPAC: (1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol.
Chemical Property Profile of Hippuristanol
Property Insights of Hippuristanol
The XLogP value of 4.268 indicates that Hippuristanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuristanol. Following Lipinski's Rule of Five, Hippuristanol has 3 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 Hippuristanol?
The CAS number of Hippuristanol is 80442-78-0.
What is the molecular formula of Hippuristanol?
The molecular formula of Hippuristanol is C28H46O5.
What is the molecular weight of Hippuristanol?
The molecular weight of Hippuristanol is 462.33 g/mol.
Where can I buy Hippuristanol?
You can request a quote for Hippuristanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hippuristanol?
Yes, KEHONG BIO provides custom synthesis services for Hippuristanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.