Hercules 14504
TL;DR: Hercules 14504 (CAS 10577-14-7) is a chemical compound with molecular formula C12H13ClNO4PS2 and molecular weight 364.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-chloro-2-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione
Also Known As: Hercules 14504, 2-(1-chloro-2-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione, 9H-Carbazole-3,6-dicarboxylic acid,9-ethyl-,dihexyl ester, s-[2-chloro-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] o,o-dimethyl phosphorodithioate, 2-[2-Chloro-1-[(dimethoxyphosphinothioyl)thio]ethyl]-2H-isoindole-1,3-dione
| Molecular Formula | C12H13ClNO4PS2 |
|---|---|
| Molecular Weight | 364.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.97122 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 10577-14-7 |
|---|---|
| SMILES | COP(=S)(OC)SCC(N1C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | SMXIQXAQESMSRT-UHFFFAOYSA-N |
Product Overview
Hercules 14504 (CAS 10577-14-7), with molecular formula C12H13ClNO4PS2 and molecular weight 364.97 g/mol. IUPAC: 2-(1-chloro-2-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione.
Chemical Property Profile of Hercules 14504
Property Insights of Hercules 14504
The XLogP value of 3.4 indicates that Hercules 14504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hercules 14504. Following Lipinski's Rule of Five, Hercules 14504 has 0 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 14504?
The CAS number of Hercules 14504 is 10577-14-7.
What is the molecular formula of Hercules 14504?
The molecular formula of Hercules 14504 is C12H13ClNO4PS2.
What is the molecular weight of Hercules 14504?
The molecular weight of Hercules 14504 is 364.97 g/mol.
Where can I buy Hercules 14504?
You can request a quote for Hercules 14504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 14504?
Yes, KEHONG BIO provides custom synthesis services for Hercules 14504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.