O-(3,7-dimethyloctyl) N-methylcarbamothioate
TL;DR: O-(3,7-dimethyloctyl) N-methylcarbamothioate (CAS 97457-41-5) is a chemical compound with molecular formula C12H25NOS and molecular weight 231.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(3,7-dimethyloctyl) N-methylcarbamothioate
Also Known As: O-(3,7-dimethyloctyl) N-methylcarbamothioate, NCI60_008685, O-(3,7-Dimethyloctyl) methylthiocarbamate, O-(3,7-Dimethyloctyl) methylcarbamothioate, Carbamothioic acid, methyl-, O-(3,7-dimethyloctyl) ester
| Molecular Formula | C12H25NOS |
|---|---|
| Molecular Weight | 231.17 g/mol |
| LogP | 3.3598 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.16568 |
| Heavy Atoms | 15 |
| Complexity | 171.00505 |
Chemical Identifiers
| CAS Number | 97457-41-5 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC(=S)NC |
Product Overview
O-(3,7-dimethyloctyl) N-methylcarbamothioate (CAS 97457-41-5), with molecular formula C12H25NOS and molecular weight 231.17 g/mol. IUPAC: O-(3,7-dimethyloctyl) N-methylcarbamothioate.
Chemical Property Profile of O-(3,7-dimethyloctyl) N-methylcarbamothioate
Property Insights of O-(3,7-dimethyloctyl) N-methylcarbamothioate
The XLogP value of 3.3598 indicates that O-(3,7-dimethyloctyl) N-methylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, O-(3,7-dimethyloctyl) N-methylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(3,7-dimethyloctyl) N-methylcarbamothioate has 1 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 O-(3,7-dimethyloctyl) N-methylcarbamothioate?
The CAS number of O-(3,7-dimethyloctyl) N-methylcarbamothioate is 97457-41-5.
What is the molecular formula of O-(3,7-dimethyloctyl) N-methylcarbamothioate?
The molecular formula of O-(3,7-dimethyloctyl) N-methylcarbamothioate is C12H25NOS.
What is the molecular weight of O-(3,7-dimethyloctyl) N-methylcarbamothioate?
The molecular weight of O-(3,7-dimethyloctyl) N-methylcarbamothioate is 231.17 g/mol.
Where can I buy O-(3,7-dimethyloctyl) N-methylcarbamothioate?
You can request a quote for O-(3,7-dimethyloctyl) N-methylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(3,7-dimethyloctyl) N-methylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(3,7-dimethyloctyl) N-methylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.