Henningsoline
TL;DR: Henningsoline (CAS 18797-85-8) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl)ethanone
Also Known As: HENNINGSOLINE, 1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl)ethanone, 1-(12,17-Dihydroxy-11-methoxy-19,20-didehydro-17,18-epoxycuran-1-yl)ethan-1-one, 1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo(16.3.1.04,12.04,21.05,10.013,19)docosa-5(10),6,8,17-tetraen-11-yl)ethanone, RefChem:347101
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 18797-85-8 |
|---|---|
| SMILES | CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3O)C6=C1C(=C(C=C6)OC)O |
| InChIKey | BCKDRLNZTWKJHT-UHFFFAOYSA-N |
Product Overview
Henningsoline (CAS 18797-85-8), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: 1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl)ethanone.
Chemical Property Profile of Henningsoline
Property Insights of Henningsoline
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Henningsoline. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Henningsoline. Following Lipinski's Rule of Five, Henningsoline 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 Henningsoline?
The CAS number of Henningsoline is 18797-85-8.
What is the molecular formula of Henningsoline?
The molecular formula of Henningsoline is C22H26N2O5.
What is the molecular weight of Henningsoline?
The molecular weight of Henningsoline is 398.18 g/mol.
Where can I buy Henningsoline?
You can request a quote for Henningsoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Henningsoline?
Yes, KEHONG BIO provides custom synthesis services for Henningsoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.