Hetisine perchlorate
TL;DR: Hetisine perchlorate (CAS 91309-05-6) is a chemical compound with molecular formula C20H28ClNO7 and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,9S,10S,16R,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol;perchloric acid
Also Known As: Hetisine perchlorate
| Molecular Formula | C20H28ClNO7 |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | -3.36 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 429.15543 |
| Heavy Atoms | 29 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 91309-05-6 |
|---|---|
| SMILES | C[C@@]12C[C@@H](CC34[C@@H]1[C@H]5CC67[C@H]3[C@@H](C([C@H]([C@@H]6C4N5C2)O)C(=C)C7)O)O.OCl(=O)(=O)=O |
| InChIKey | IMYWVQFDHUOTJX-KVMCIPOUSA-N |
Product Overview
Hetisine perchlorate (CAS 91309-05-6), with molecular formula C20H28ClNO7 and molecular weight 429.16 g/mol. IUPAC: (3S,5R,9S,10S,16R,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol;perchloric acid.
Chemical Property Profile of Hetisine perchlorate
Property Insights of Hetisine perchlorate
The XLogP value of -3.36 indicates that Hetisine perchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hetisine perchlorate. Following Lipinski's Rule of Five, Hetisine perchlorate has 4 hydrogen bond donor(s) and 8 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 Hetisine perchlorate?
The CAS number of Hetisine perchlorate is 91309-05-6.
What is the molecular formula of Hetisine perchlorate?
The molecular formula of Hetisine perchlorate is C20H28ClNO7.
What is the molecular weight of Hetisine perchlorate?
The molecular weight of Hetisine perchlorate is 429.16 g/mol.
Where can I buy Hetisine perchlorate?
You can request a quote for Hetisine perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetisine perchlorate?
Yes, KEHONG BIO provides custom synthesis services for Hetisine perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.