Hetisan-2,11,13-triol
TL;DR: Hetisan-2,11,13-triol (CAS 10089-23-3) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
Also Known As: HETISINE, Hetisan-2,11,13-triol, methyl(methylene)[?]triol, 5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol, RefChem:1086476
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 10089-23-3 |
|---|---|
| SMILES | CC12CC(CC34C1C5CC67C3C(C(C(C6C4N5C2)O)C(=C)C7)O)O |
| InChIKey | PIWJSAMCEMZIDO-UHFFFAOYSA-N |
Product Overview
Hetisan-2,11,13-triol (CAS 10089-23-3), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: 5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol.
Chemical Property Profile of Hetisan-2,11,13-triol
Property Insights of Hetisan-2,11,13-triol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hetisan-2,11,13-triol. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Hetisan-2,11,13-triol. Following Lipinski's Rule of Five, Hetisan-2,11,13-triol has 3 hydrogen bond donor(s) and 4 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 Hetisan-2,11,13-triol?
The CAS number of Hetisan-2,11,13-triol is 10089-23-3.
What is the molecular formula of Hetisan-2,11,13-triol?
The molecular formula of Hetisan-2,11,13-triol is C20H27NO3.
What is the molecular weight of Hetisan-2,11,13-triol?
The molecular weight of Hetisan-2,11,13-triol is 329.20 g/mol.
Where can I buy Hetisan-2,11,13-triol?
You can request a quote for Hetisan-2,11,13-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetisan-2,11,13-triol?
Yes, KEHONG BIO provides custom synthesis services for Hetisan-2,11,13-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.