Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)
TL;DR: Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) (CAS 24806-96-0) is a chemical compound with molecular formula C7H19N2O4PS and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl hydrogen phosphate;ethyl carbamimidothioate
Also Known As: Difetur, S-Ethylisothiuronium diethyl phosphate, nitric oxide synthase inhibi-tors, s-ethylisothiouronium diethylphosphate, Ethyl carbamimidothioate diethyl phosphate
| Molecular Formula | C7H19N2O4PS |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 1.79277 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.08032 |
| Heavy Atoms | 15 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 24806-96-0 |
|---|---|
| SMILES | CCOP(=O)(O)OCC.CCSC(=N)N |
| InChIKey | CSYSULGPHGCBQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) (CAS 24806-96-0), with molecular formula C7H19N2O4PS and molecular weight 258.08 g/mol. IUPAC: diethyl hydrogen phosphate;ethyl carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)
Property Insights of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)
The XLogP value of 1.79277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1). The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1). Following Lipinski's Rule of Five, Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) has 3 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 Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)?
The CAS number of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) is 24806-96-0.
What is the molecular formula of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)?
The molecular formula of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) is C7H19N2O4PS.
What is the molecular weight of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)?
The molecular weight of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) is 258.08 g/mol.
Where can I buy Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)?
You can request a quote for Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.