(5alpha,7alpha,8beta)-(+)(-)-Smbu-1
TL;DR: (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 (CAS 141269-53-6) is a chemical compound with molecular formula C23H28Cl2N2O3 and molecular weight 450.1477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichlorophenyl)-N-methyl-N-(3-methylidene-2-oxo-8-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-7-yl)acetamide
Also Known As: (5alpha,7alpha,8beta)-(+)(-)-Smbu-1, (5alpha,7beta,8alpha)-(+)(-)-Smbu-1, 3,4-Dichloro-N-methyl-N-(3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-7-yl)benzeneacetamide, Benzeneacetamide,3,4-dichloro-N-methyl-N-[(5R,7S,8S)-3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-7-yl]-,rel-, 2-(3,4-dichlorophenyl)-N-methyl-N-(2-methylidene-3-oxo-8-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-9-yl)acetamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H28Cl2N2O3 |
| Molecular Weight | 450.1477 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.1477 Da |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
| SMILES | CN(C1CC2(CCC1N3CCCC3)CC(=C)C(=O)O2)C(=O)CC4=CC(=C(C=C4)Cl)Cl |
| InChIKey | AIGXNGMYDUNNBN-UHFFFAOYSA-N |
Chemical Property Profile of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1
Property Insights of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1
The XLogP value of 4.5 indicates that (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1?
The CAS number of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 is 141269-53-6.
What is the molecular formula of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1?
The molecular formula of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 is C23H28Cl2N2O3.
What is the molecular weight of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1?
The molecular weight of (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 is 450.1477 g/mol.
Where can I buy (5alpha,7alpha,8beta)-(+)(-)-Smbu-1?
You can request a quote for (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5alpha,7alpha,8beta)-(+)(-)-Smbu-1?
Yes, CoreyChem provides custom synthesis services for (5alpha,7alpha,8beta)-(+)(-)-Smbu-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.