RefChem:1084412
TL;DR: RefChem:1084412 (CAS 81861-91-8) is a chemical compound with molecular formula C11H20N2O6S2 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxysulfinyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: Ethanimidothioic acid, N-((((((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)sulfinyl)methylamino)carbonyl)oxy)-, methyl ester, RefChem:1084412
| Molecular Formula | C11H20N2O6S2 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.498 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0763 |
| Heavy Atoms | 21 |
| Complexity | 428.93652 |
Chemical Identifiers
| CAS Number | 81861-91-8 |
|---|---|
| SMILES | C/C(=N\OC(=O)N(C)S(=O)OCC1COC(O1)(C)C)/SC |
Product Overview
RefChem:1084412 (CAS 81861-91-8), with molecular formula C11H20N2O6S2 and molecular weight 340.08 g/mol. IUPAC: methyl (1E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxysulfinyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1084412
Property Insights of RefChem:1084412
The XLogP value of 1.498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084412. The TPSA of 86.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084412. Following Lipinski's Rule of Five, RefChem:1084412 has 0 hydrogen bond donor(s) and 8 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 RefChem:1084412?
The CAS number of RefChem:1084412 is 81861-91-8.
What is the molecular formula of RefChem:1084412?
The molecular formula of RefChem:1084412 is C11H20N2O6S2.
What is the molecular weight of RefChem:1084412?
The molecular weight of RefChem:1084412 is 340.08 g/mol.
Where can I buy RefChem:1084412?
You can request a quote for RefChem:1084412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.