Hetisan-15-ol, (15beta)-
TL;DR: Hetisan-15-ol, (15beta)- (CAS 79808-87-0) is a chemical compound with molecular formula C20H27NO and molecular weight 297.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,9S,11R,13R,16S,17R,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-ol
Also Known As: Hetisan-15-ol, Hetisan-15-ol, (15beta)-, NOMININE (ACONITUM), (20xi)-21xi-Hetisan-15alpha-ol
| Molecular Formula | C20H27NO |
|---|---|
| Molecular Weight | 297.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.20926 |
| Heavy Atoms | 22 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 79808-87-0 |
|---|---|
| SMILES | C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C[C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O |
| InChIKey | XTCLZKDQQNEKCJ-WJEQZBOGSA-N |
Product Overview
Hetisan-15-ol, (15beta)- (CAS 79808-87-0), with molecular formula C20H27NO and molecular weight 297.21 g/mol. IUPAC: (5R,9S,11R,13R,16S,17R,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-ol.
Chemical Property Profile of Hetisan-15-ol, (15beta)-
Property Insights of Hetisan-15-ol, (15beta)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hetisan-15-ol, (15beta)-. With a topological polar surface area (TPSA) of 23.5 Ų, Hetisan-15-ol, (15beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hetisan-15-ol, (15beta)- has 1 hydrogen bond donor(s) and 2 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-15-ol, (15beta)-?
The CAS number of Hetisan-15-ol, (15beta)- is 79808-87-0.
What is the molecular formula of Hetisan-15-ol, (15beta)-?
The molecular formula of Hetisan-15-ol, (15beta)- is C20H27NO.
What is the molecular weight of Hetisan-15-ol, (15beta)-?
The molecular weight of Hetisan-15-ol, (15beta)- is 297.21 g/mol.
Where can I buy Hetisan-15-ol, (15beta)-?
You can request a quote for Hetisan-15-ol, (15beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetisan-15-ol, (15beta)-?
Yes, KEHONG BIO provides custom synthesis services for Hetisan-15-ol, (15beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.