Amberline
TL;DR: Amberline (CAS 36855-58-0) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,13R,15R)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Also Known As: Ambelline, Amberline, dimethoxy[?]ol, KST-1A4288, NCI60_001104
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 36855-58-0 |
|---|---|
| SMILES | CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O |
| InChIKey | QAHZAHIPKNLGAS-MUPGEQOCSA-N |
Product Overview
Amberline (CAS 36855-58-0), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: (1R,13R,15R)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol.
Chemical Property Profile of Amberline
Property Insights of Amberline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amberline. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Amberline. Following Lipinski's Rule of Five, Amberline has 1 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 Amberline?
The CAS number of Amberline is 36855-58-0.
What is the molecular formula of Amberline?
The molecular formula of Amberline is C18H21NO5.
What is the molecular weight of Amberline?
The molecular weight of Amberline is 331.14 g/mol.
Where can I buy Amberline?
You can request a quote for Amberline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amberline?
Yes, KEHONG BIO provides custom synthesis services for Amberline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.