RefChem:1084407
TL;DR: RefChem:1084407 (CAS 81862-15-9) is a chemical compound with molecular formula C24H36N6O11S4 and molecular weight 712.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[[2-[[(Z)-[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylsulfinamoyl]oxy-3-phenylmethoxypropoxy]sulfinyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Also Known As: Ethanimidothioic acid, N,N'-((1-((phenylmethoxy)methyl)-1,2-ethanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis(2-(dimethylamino)-2-oxo-, dimethyl ester, RefChem:1084407
| Molecular Formula | C24H36N6O11S4 |
|---|---|
| Molecular Weight | 712.13 g/mol |
| LogP | 1.4286 |
| Topological Polar Surface Area | 186.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 712.1325 |
| Heavy Atoms | 45 |
| Complexity | 1267.2157 |
Chemical Identifiers
| CAS Number | 81862-15-9 |
|---|---|
| SMILES | CN(C)C(=O)/C(=N/OC(=O)N(C)S(=O)OCC(COCC1=CC=CC=C1)OS(=O)N(C)C(=O)O/N=C(/C(=O)N(C)C)\SC)/SC |
Product Overview
RefChem:1084407 (CAS 81862-15-9), with molecular formula C24H36N6O11S4 and molecular weight 712.13 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[[2-[[(Z)-[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylsulfinamoyl]oxy-3-phenylmethoxypropoxy]sulfinyl-methylcarbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1084407
Property Insights of RefChem:1084407
The XLogP value of 1.4286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084407. The TPSA of 186.25 Ų indicates high polarity, suggesting RefChem:1084407 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084407 has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084407?
The CAS number of RefChem:1084407 is 81862-15-9.
What is the molecular formula of RefChem:1084407?
The molecular formula of RefChem:1084407 is C24H36N6O11S4.
What is the molecular weight of RefChem:1084407?
The molecular weight of RefChem:1084407 is 712.13 g/mol.
Where can I buy RefChem:1084407?
You can request a quote for RefChem:1084407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084407?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.