Espiradolina
TL;DR: Espiradolina (CAS 4137-11-5) is a chemical compound with molecular formula C22H30Cl2N2O2 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
Also Known As: Espiradolina, SPIRADOLINE, U 62066, benzeneacetamide, 3,4-dichloro-n-methyl-n-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, 2-(3,4-dichlorophenyl)-N-methyl-N-(9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl)acetamide
| Molecular Formula | C22H30Cl2N2O2 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.16843 |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 4137-11-5 |
|---|---|
| SMILES | CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl |
| InChIKey | NYKCGQQJNVPOLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Espiradolina (CAS 4137-11-5), with molecular formula C22H30Cl2N2O2 and molecular weight 424.17 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.
Chemical Property Profile of Espiradolina
Property Insights of Espiradolina
The XLogP value of 4.3 indicates that Espiradolina is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Espiradolina exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Espiradolina has 0 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 Espiradolina?
The CAS number of Espiradolina is 4137-11-5.
What is the molecular formula of Espiradolina?
The molecular formula of Espiradolina is C22H30Cl2N2O2.
What is the molecular weight of Espiradolina?
The molecular weight of Espiradolina is 424.17 g/mol.
Where can I buy Espiradolina?
You can request a quote for Espiradolina directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Espiradolina?
Yes, KEHONG BIO provides custom synthesis services for Espiradolina and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.