Molinate sulfoxide
TL;DR: Molinate sulfoxide (CAS 52236-29-0) is a chemical compound with molecular formula C9H17NO2S and molecular weight 203.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl(ethylsulfinyl)methanone
Also Known As: Molinate sulfoxide, Ordram sulfoxide, MOLINATE-SULFOXIDE, azepan-1-yl(ethylsulfinyl)methanone, starbld0002235
| Molecular Formula | C9H17NO2S |
|---|---|
| Molecular Weight | 203.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.098 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 52236-29-0 |
|---|---|
| SMILES | CCS(=O)C(=O)N1CCCCCC1 |
| InChIKey | AQZLABPGWGSAER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Molinate sulfoxide (CAS 52236-29-0), with molecular formula C9H17NO2S and molecular weight 203.10 g/mol. IUPAC: azepan-1-yl(ethylsulfinyl)methanone.
Chemical Property Profile of Molinate sulfoxide
Property Insights of Molinate sulfoxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Molinate sulfoxide. With a topological polar surface area (TPSA) of 56.6 Ų, Molinate sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Molinate sulfoxide 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 Molinate sulfoxide?
The CAS number of Molinate sulfoxide is 52236-29-0.
What is the molecular formula of Molinate sulfoxide?
The molecular formula of Molinate sulfoxide is C9H17NO2S.
What is the molecular weight of Molinate sulfoxide?
The molecular weight of Molinate sulfoxide is 203.10 g/mol.
Where can I buy Molinate sulfoxide?
You can request a quote for Molinate sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Molinate sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Molinate sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.