O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate
TL;DR: O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate (CAS 50929-97-0) is a chemical compound with molecular formula C12H26NO6PS and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butan-2-yloxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine;oxalic acid
Also Known As: O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate, Phosphonothioic acid, ethyl-, S-(2-(dimethylamino)ethyl) O-(1-methylpropyl) ester, ethanedioate (1:1), 2-[butan-2-yloxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine; oxalic acid, Oxalic acid--O-(butan-2-yl) S-[2-(dimethylamino)ethyl] ethylphosphonothioate (1/1), Oxalic acid--O-butan-2-yl S-[2-(dimethylamino)ethyl] ethylphosphonothioate (1/1)
| Molecular Formula | C12H26NO6PS |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 2.4649 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.12186 |
| Heavy Atoms | 21 |
| Complexity | 351.6568 |
Chemical Identifiers
| CAS Number | 50929-97-0 |
|---|---|
| SMILES | CCC(C)OP(=O)(CC)SCCN(C)C.C(=O)(C(=O)O)O |
Product Overview
O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate (CAS 50929-97-0), with molecular formula C12H26NO6PS and molecular weight 343.12 g/mol. IUPAC: 2-[butan-2-yloxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine;oxalic acid.
Chemical Property Profile of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate
Property Insights of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate
The XLogP value of 2.4649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate. Following Lipinski's Rule of Five, O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate?
The CAS number of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate is 50929-97-0.
What is the molecular formula of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate?
The molecular formula of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate is C12H26NO6PS.
What is the molecular weight of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate?
The molecular weight of O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate is 343.12 g/mol.
Where can I buy O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate?
You can request a quote for O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate?
Yes, KEHONG BIO provides custom synthesis services for O-2-Butyl S-2-(dimethylamino)ethyl ethylphosphonothioate hydrogen oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.