Hetisan-11-beta,15-beta-diol
TL;DR: Hetisan-11-beta,15-beta-diol (CAS 5413-28-5) is a chemical compound with molecular formula C20H27NO2 and molecular weight 313.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,9S,11R,13R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
Also Known As: Kobusine, Hetisan-11,15-diol, Hetisan-11-beta,15-beta-diol, KST-1A5641, KST-1A5642
| Molecular Formula | C20H27NO2 |
|---|---|
| Molecular Weight | 313.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.2042 |
| Heavy Atoms | 23 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 5413-28-5 |
|---|---|
| SMILES | C[C@@]12CCC[C@]34[C@@H]1[C@@H]5CC67[C@H]3[C@H]([C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O)O |
| InChIKey | SYQIMSBCRURKCZ-FUUSBGSBSA-N |
Product Overview
Hetisan-11-beta,15-beta-diol (CAS 5413-28-5), with molecular formula C20H27NO2 and molecular weight 313.20 g/mol. IUPAC: (1S,5R,9S,11R,13R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol.
Chemical Property Profile of Hetisan-11-beta,15-beta-diol
Property Insights of Hetisan-11-beta,15-beta-diol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hetisan-11-beta,15-beta-diol. With a topological polar surface area (TPSA) of 43.7 Ų, Hetisan-11-beta,15-beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hetisan-11-beta,15-beta-diol has 2 hydrogen bond donor(s) and 3 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-11-beta,15-beta-diol?
The CAS number of Hetisan-11-beta,15-beta-diol is 5413-28-5.
What is the molecular formula of Hetisan-11-beta,15-beta-diol?
The molecular formula of Hetisan-11-beta,15-beta-diol is C20H27NO2.
What is the molecular weight of Hetisan-11-beta,15-beta-diol?
The molecular weight of Hetisan-11-beta,15-beta-diol is 313.20 g/mol.
Where can I buy Hetisan-11-beta,15-beta-diol?
You can request a quote for Hetisan-11-beta,15-beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetisan-11-beta,15-beta-diol?
Yes, KEHONG BIO provides custom synthesis services for Hetisan-11-beta,15-beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.