Hydroxytuberosone
TL;DR: Hydroxytuberosone (CAS 95456-43-2) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,13S)-1,14-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,15,18-hexaen-17-one
Also Known As: Hydroxytuberosone, (+)-Hydroxytuberosone, 9564AF, (1R,13S)-1,14-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,15,18-hexaen-17-one
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 95456-43-2 |
|---|---|
| SMILES | CC1(C=CC2=CC3=C(C=C2O1)O[C@H]4[C@@]3(COC5=CC(=O)C=CC45O)O)C |
| InChIKey | PDSPTIAGLVOKKO-BPYOIECJSA-N |
Product Overview
Hydroxytuberosone (CAS 95456-43-2), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: (1R,13S)-1,14-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,15,18-hexaen-17-one.
Chemical Property Profile of Hydroxytuberosone
Property Insights of Hydroxytuberosone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxytuberosone. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxytuberosone. Following Lipinski's Rule of Five, Hydroxytuberosone has 2 hydrogen bond donor(s) and 6 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 Hydroxytuberosone?
The CAS number of Hydroxytuberosone is 95456-43-2.
What is the molecular formula of Hydroxytuberosone?
The molecular formula of Hydroxytuberosone is C20H18O6.
What is the molecular weight of Hydroxytuberosone?
The molecular weight of Hydroxytuberosone is 354.11 g/mol.
Where can I buy Hydroxytuberosone?
You can request a quote for Hydroxytuberosone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxytuberosone?
Yes, KEHONG BIO provides custom synthesis services for Hydroxytuberosone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.