RefChem:1084406
TL;DR: RefChem:1084406 (CAS 81877-64-7) is a chemical compound with molecular formula C16H28N4O9S4 and molecular weight 548.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-N-[methyl-[2-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]-3-prop-2-enoxypropyl]sulfinamoyl]oxycarbonyloxyethanimidothioate
Also Known As: Ethanimidothioic acid, N,N'-((1-((2-propenyloxy)methyl)-1,2-ethanediyl)bis(oxysulfinyl(methylimino)carbonyloxy))bis-, dimethyl ester, RefChem:1084406
| Molecular Formula | C16H28N4O9S4 |
|---|---|
| Molecular Weight | 548.07 g/mol |
| LogP | 2.2778 |
| Topological Polar Surface Area | 145.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 548.0739 |
| Heavy Atoms | 33 |
| Complexity | 766.25604 |
Chemical Identifiers
| CAS Number | 81877-64-7 |
|---|---|
| SMILES | C/C(=N/OC(=O)OS(=O)N(C)CC(COCC=C)N(C)S(=O)OC(=O)O/N=C(/C)\SC)/SC |
Product Overview
RefChem:1084406 (CAS 81877-64-7), with molecular formula C16H28N4O9S4 and molecular weight 548.07 g/mol. IUPAC: methyl (1Z)-N-[methyl-[2-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]-3-prop-2-enoxypropyl]sulfinamoyl]oxycarbonyloxyethanimidothioate.
Chemical Property Profile of RefChem:1084406
Property Insights of RefChem:1084406
The XLogP value of 2.2778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084406. The TPSA of 145.63 Ų indicates high polarity, suggesting RefChem:1084406 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084406 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084406?
The CAS number of RefChem:1084406 is 81877-64-7.
What is the molecular formula of RefChem:1084406?
The molecular formula of RefChem:1084406 is C16H28N4O9S4.
What is the molecular weight of RefChem:1084406?
The molecular weight of RefChem:1084406 is 548.07 g/mol.
Where can I buy RefChem:1084406?
You can request a quote for RefChem:1084406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084406?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.