Powelline acetate
TL;DR: Powelline acetate (CAS 125309-90-2) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(13R,15R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
Also Known As: Powelline acetate, 3-O-Acetylpowelline, 7-Methoxy-1,2-didehydrocrinan-3-yl acetate, (5xi)-7-Methoxy-1,2-didehydrocrinan-3alpha-yl acetate, Crinan-3-ol, 1,2-didehydro-7-methoxy-, acetate (ester), (3alpha)-
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 125309-90-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C=C1 |
| InChIKey | SIXXWBHRECGZRD-HAEBDUGBSA-N |
Product Overview
Powelline acetate (CAS 125309-90-2), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: [(13R,15R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate.
Chemical Property Profile of Powelline acetate
Property Insights of Powelline acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Powelline acetate. With a topological polar surface area (TPSA) of 57.2 Ų, Powelline acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Powelline acetate has 0 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 Powelline acetate?
The CAS number of Powelline acetate is 125309-90-2.
What is the molecular formula of Powelline acetate?
The molecular formula of Powelline acetate is C19H21NO5.
What is the molecular weight of Powelline acetate?
The molecular weight of Powelline acetate is 343.14 g/mol.
Where can I buy Powelline acetate?
You can request a quote for Powelline acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Powelline acetate?
Yes, KEHONG BIO provides custom synthesis services for Powelline acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.