RefChem:1084404
TL;DR: RefChem:1084404 (CAS 81862-05-7) is a chemical compound with molecular formula C18H32N6O12S6 and molecular weight 716.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-N-[2,3-bis[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]propyl-methylsulfinamoyl]oxycarbonyloxyethanimidothioate
Also Known As: N,N''-Tris((1,2,3-propyltrioxy)sulfinyl)tris(S-methyl N-((methylcarbamoyl)oxy)thioacetimidate), Ethanimidothioic acid, N,N',N''-(1,2,3-propanetriyltris(oxysulfinyl(methylimino)carbonyloxy))tris-, trimethyl ester, RefChem:1084404
| Molecular Formula | C18H32N6O12S6 |
|---|---|
| Molecular Weight | 716.04 g/mol |
| LogP | 2.4353 |
| Topological Polar Surface Area | 204.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 716.0402 |
| Heavy Atoms | 42 |
| Complexity | 1037.6361 |
Chemical Identifiers
| CAS Number | 81862-05-7 |
|---|---|
| SMILES | C/C(=N/OC(=O)OS(=O)N(CC(N(S(=O)OC(=O)O/N=C(\SC)/C)C)CN(S(=O)OC(=O)O/N=C(\SC)/C)C)C)/SC |
Product Overview
RefChem:1084404 (CAS 81862-05-7), with molecular formula C18H32N6O12S6 and molecular weight 716.04 g/mol. IUPAC: methyl (1Z)-N-[2,3-bis[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyloxysulfinylamino]propyl-methylsulfinamoyl]oxycarbonyloxyethanimidothioate.
Chemical Property Profile of RefChem:1084404
Property Insights of RefChem:1084404
The XLogP value of 2.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084404. The TPSA of 204.6 Ų indicates high polarity, suggesting RefChem:1084404 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084404 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084404?
The CAS number of RefChem:1084404 is 81862-05-7.
What is the molecular formula of RefChem:1084404?
The molecular formula of RefChem:1084404 is C18H32N6O12S6.
What is the molecular weight of RefChem:1084404?
The molecular weight of RefChem:1084404 is 716.04 g/mol.
Where can I buy RefChem:1084404?
You can request a quote for RefChem:1084404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.