RefChem:1076859
TL;DR: RefChem:1076859 (CAS 3506-06-7) is a chemical compound with molecular formula C16H26N4O15S3 and molecular weight 610.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-bis(3-methylsulfonyloxypropyl)azanium;2,4,6-trinitrobenzenesulfonate
Also Known As: NIOSH/BP8243832, 3,3'-Dimesyloxy-N-dimethyldipropylammonium picrylsulfonate, Ammonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester), Ammonium, dimethyl(3,3-dihydroxypropyl)-, dimethanesulfonate, picrylsulfonate, Dimethyl(3,3-dihydroxypropyl)ammonium dimethanesulfonate picrylsulfonate
| Molecular Formula | C16H26N4O15S3 |
|---|---|
| Molecular Weight | 610.06 g/mol |
| LogP | 0.11 |
| Topological Polar Surface Area | 307.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 610.05566 |
| Heavy Atoms | 38 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 3506-06-7 |
|---|---|
| SMILES | C[N+](C)(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BRHSXGAOTZRFSP-UHFFFAOYSA-M |
Product Overview
RefChem:1076859 (CAS 3506-06-7), with molecular formula C16H26N4O15S3 and molecular weight 610.06 g/mol. IUPAC: dimethyl-bis(3-methylsulfonyloxypropyl)azanium;2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of RefChem:1076859
Property Insights of RefChem:1076859
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076859. The TPSA of 307.0 Ų indicates high polarity, suggesting RefChem:1076859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1076859 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:1076859?
The CAS number of RefChem:1076859 is 3506-06-7.
What is the molecular formula of RefChem:1076859?
The molecular formula of RefChem:1076859 is C16H26N4O15S3.
What is the molecular weight of RefChem:1076859?
The molecular weight of RefChem:1076859 is 610.06 g/mol.
Where can I buy RefChem:1076859?
You can request a quote for RefChem:1076859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.