Sinoacutine
TL;DR: Sinoacutine (CAS 4090-18-0) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
Also Known As: Sinoacutine, (1R,9R)-3-Hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 4090-18-0 |
|---|---|
| SMILES | CN1CC[C@@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
| InChIKey | GVTRUVGBZQJVTF-BFUOFWGJSA-N |
Product Overview
Sinoacutine (CAS 4090-18-0), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (1R,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one.
Chemical Property Profile of Sinoacutine
Property Insights of Sinoacutine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sinoacutine. With a topological polar surface area (TPSA) of 59.0 Ų, Sinoacutine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sinoacutine has 1 hydrogen bond donor(s) and 5 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 Sinoacutine?
The CAS number of Sinoacutine is 4090-18-0.
What is the molecular formula of Sinoacutine?
The molecular formula of Sinoacutine is C19H21NO4.
What is the molecular weight of Sinoacutine?
The molecular weight of Sinoacutine is 327.15 g/mol.
Where can I buy Sinoacutine?
You can request a quote for Sinoacutine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinoacutine?
Yes, KEHONG BIO provides custom synthesis services for Sinoacutine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.