Molinate
TL;DR: Molinate (CAS 2212-67-1) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl azepane-1-carbothioate
Also Known As: MOLINATE, Ordram, Jalan, Yalan, Yulan
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| Boiling Point | 136.5 °C @ 10 mm Hg |
| Density | 1.063 g/ml @ 20 °C |
| Solubility | Miscible with acetone, ethanol, kerosene, 4-methylpentan-2-one, xylene |
| Flash Point | 139 °C (OC) |
| Vapor Pressure | 0.0056 [mmHg] |
| Refractive Index | 1.5124 @ 30 °C |
Chemical Identifiers
| CAS Number | 2212-67-1 |
|---|---|
| SMILES | CCSC(=O)N1CCCCCC1 |
| InChIKey | DEDOPGXGGQYYMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Molinate (CAS 2212-67-1), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: S-ethyl azepane-1-carbothioate.
Chemical Property Profile of Molinate
Property Insights of Molinate
The XLogP value of 3.2 indicates that Molinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Molinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Molinate has 0 hydrogen bond donor(s) and 2 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?
The CAS number of Molinate is 2212-67-1.
What is the molecular formula of Molinate?
The molecular formula of Molinate is C9H17NOS.
What is the molecular weight of Molinate?
The molecular weight of Molinate is 187.10 g/mol.
Where can I buy Molinate?
You can request a quote for Molinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Molinate?
Yes, KEHONG BIO provides custom synthesis services for Molinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.