RefChem:352441
TL;DR: RefChem:352441 (CAS 67293-76-9) is a chemical compound with molecular formula C30H66N4Na2O13P2S2 and molecular weight 862.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;bis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate);heptahydrate
Also Known As: C15H26N2O3PS.Na.7/2H2O, C15-H26-N2-O3-P-S.Na.7/2H2-O, Methanethiol, N-((3,5-dimethyl)-1-adamantylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (2:2:7), Disodium[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinateheptahydrate, disodium [2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate heptahydrate
| Molecular Formula | C30H66N4Na2O13P2S2 |
|---|---|
| Molecular Weight | 862.33 g/mol |
| LogP | -6.7 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 862.33386 |
| Heavy Atoms | 53 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 67293-76-9 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)[O-])N)C.O.O.O.O.O.O.O.[Na+].[Na+] |
| InChIKey | VCIUAFOHMQQZIY-UHFFFAOYSA-L |
Product Overview
RefChem:352441 (CAS 67293-76-9), with molecular formula C30H66N4Na2O13P2S2 and molecular weight 862.33 g/mol. IUPAC: disodium;bis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate);heptahydrate.
Chemical Property Profile of RefChem:352441
Property Insights of RefChem:352441
The XLogP value of -6.7 indicates that RefChem:352441 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting RefChem:352441 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:352441 has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:352441?
The CAS number of RefChem:352441 is 67293-76-9.
What is the molecular formula of RefChem:352441?
The molecular formula of RefChem:352441 is C30H66N4Na2O13P2S2.
What is the molecular weight of RefChem:352441?
The molecular weight of RefChem:352441 is 862.33 g/mol.
Where can I buy RefChem:352441?
You can request a quote for RefChem:352441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:352441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:352441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.