Spirobarbital
TL;DR: Spirobarbital (CAS 72035-36-0) is a chemical compound with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-1,3-dimethyl-8-sulfanyl-7,9-diazaspiro[4.5]decane-6,10-dione
Also Known As: Spirobarbital, 1-Ethyl-2,4-dimethyl-8-sulfanyl-7,9-diazaspiro(4.5)decane-6,10-dione, 7,9-Diazaspiro(4.5)decane-6,10-dione, 1-ethyl-8-mercapto-2,4-dimethyl-, 1-ethyl-2,4-dimethyl-8-sulfanyl-7,9-diazaspiro[4.5]decane-6,10-dione, 4-ethyl-1,3-dimethyl-8-sulfanyl-7,9-diazaspiro[4.5]decane-6,10-dione
| Molecular Formula | C12H20N2O2S |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 1.1343 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.12454 |
| Heavy Atoms | 17 |
| Complexity | 340.4148 |
Chemical Identifiers
| CAS Number | 72035-36-0 |
|---|---|
| SMILES | CCC1C(CC(C12C(=O)NC(NC2=O)S)C)C |
Product Overview
Spirobarbital (CAS 72035-36-0), with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol. IUPAC: 4-ethyl-1,3-dimethyl-8-sulfanyl-7,9-diazaspiro[4.5]decane-6,10-dione.
Chemical Property Profile of Spirobarbital
Property Insights of Spirobarbital
The XLogP value of 1.1343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirobarbital. With a topological polar surface area (TPSA) of 58.2 Ų, Spirobarbital exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirobarbital has 3 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 Spirobarbital?
The CAS number of Spirobarbital is 72035-36-0.
What is the molecular formula of Spirobarbital?
The molecular formula of Spirobarbital is C12H20N2O2S.
What is the molecular weight of Spirobarbital?
The molecular weight of Spirobarbital is 256.12 g/mol.
Where can I buy Spirobarbital?
You can request a quote for Spirobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirobarbital?
Yes, KEHONG BIO provides custom synthesis services for Spirobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.