Heteratisine
TL;DR: Heteratisine (CAS 3328-84-5) is a chemical compound with molecular formula C22H33NO5 and molecular weight 391.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
Also Known As: Heteratisine, 4-27-00-03718 (Beilstein Handbook Reference), 20-Ethyl-6-beta,8-dihydroxy-1-alpha-methoxy-4-methylheteratisan-14-one, (1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one, Heteratisan-14-one, 20-ethyl-6,8-dihydroxy-1-methoxy-4-methyl-, (1.alpha.,6.beta.)-
| Molecular Formula | C22H33NO5 |
|---|---|
| Molecular Weight | 391.24 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.23587 |
| Heavy Atoms | 28 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 3328-84-5 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H](C31)[C@]5(CC[C@H]6C[C@@H]4[C@@H]5C(=O)O6)O)O)OC)C |
| InChIKey | YPSAOPXJHSESSR-AGBQGJAZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heteratisine (CAS 3328-84-5), with molecular formula C22H33NO5 and molecular weight 391.24 g/mol. IUPAC: (1S,2R,3S,6S,9S,10R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one.
Chemical Property Profile of Heteratisine
Property Insights of Heteratisine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heteratisine. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Heteratisine. Following Lipinski's Rule of Five, Heteratisine 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 Heteratisine?
The CAS number of Heteratisine is 3328-84-5.
What is the molecular formula of Heteratisine?
The molecular formula of Heteratisine is C22H33NO5.
What is the molecular weight of Heteratisine?
The molecular weight of Heteratisine is 391.24 g/mol.
Where can I buy Heteratisine?
You can request a quote for Heteratisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heteratisine?
Yes, KEHONG BIO provides custom synthesis services for Heteratisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.