Paniculatine
TL;DR: Paniculatine (CAS 1400-72-2) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadecan-10-one
Also Known As: Paniculatine, 1-Hydroxy-3,9-dimethyltetradecahydro-6H-benzo[3a,4]pentaleno[2,1-c]pyridin-6-one, 1-Hydroxy-3,9-dimethyltetradecahydro-6H-benzo[3a,4]pentaleno[2,1-c]pyridin-6-one #, 16-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadecan-10-one
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 1400-72-2 |
|---|---|
| SMILES | CC1CC2CC(=O)C3C2(CC4C3CCN(C4)C)C(C1)O |
| InChIKey | FXQAQYFSGHGITP-UHFFFAOYSA-N |
Product Overview
Paniculatine (CAS 1400-72-2), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: 16-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadecan-10-one.
Chemical Property Profile of Paniculatine
Property Insights of Paniculatine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paniculatine. With a topological polar surface area (TPSA) of 40.5 Ų, Paniculatine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paniculatine has 1 hydrogen bond donor(s) and 3 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 Paniculatine?
The CAS number of Paniculatine is 1400-72-2.
What is the molecular formula of Paniculatine?
The molecular formula of Paniculatine is C17H27NO2.
What is the molecular weight of Paniculatine?
The molecular weight of Paniculatine is 277.20 g/mol.
Where can I buy Paniculatine?
You can request a quote for Paniculatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paniculatine?
Yes, KEHONG BIO provides custom synthesis services for Paniculatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.