Hercules 8148-A
TL;DR: Hercules 8148-A (CAS 63717-17-9) is a chemical compound with molecular formula C8H17N2O4PS2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-diethoxyphosphinothioyl 2-[carbamoyl(methyl)amino]ethanethioate
Also Known As: Hercules 8148-A, ENT 25,874, S-((((Aminocarbonyl)methylamino)carbonyl)methyl) O,O-diethyl phosphorodithioate, s-(n-carbamoyl-n-methylglycyl) o,o-diethyl phosphorodithioate, Phosphorodithioic acid, O,O-diethyl ester, S-ester with 1-(mercaptoacetyl)-1-methylurea
| Molecular Formula | C8H17N2O4PS2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.03674 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 63717-17-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC(=O)CN(C)C(=O)N |
| InChIKey | QWCKSCFKDOLAAG-UHFFFAOYSA-N |
Product Overview
Hercules 8148-A (CAS 63717-17-9), with molecular formula C8H17N2O4PS2 and molecular weight 300.04 g/mol. IUPAC: S-diethoxyphosphinothioyl 2-[carbamoyl(methyl)amino]ethanethioate.
Chemical Property Profile of Hercules 8148-A
Property Insights of Hercules 8148-A
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hercules 8148-A. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hercules 8148-A. Following Lipinski's Rule of Five, Hercules 8148-A has 1 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 Hercules 8148-A?
The CAS number of Hercules 8148-A is 63717-17-9.
What is the molecular formula of Hercules 8148-A?
The molecular formula of Hercules 8148-A is C8H17N2O4PS2.
What is the molecular weight of Hercules 8148-A?
The molecular weight of Hercules 8148-A is 300.04 g/mol.
Where can I buy Hercules 8148-A?
You can request a quote for Hercules 8148-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 8148-A?
Yes, KEHONG BIO provides custom synthesis services for Hercules 8148-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.