Hercules 13842
TL;DR: Hercules 13842 (CAS 10312-19-3) is a chemical compound with molecular formula C12H13BrNO4PS2 and molecular weight 408.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-1-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione
Also Known As: Hercules 13842, ENT 27,268, AI3-27268, 2-(2-bromo-1-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione, 2-[2-Bromo-1-[(dimethoxyphosphinothioyl)thio]ethyl]-2H-isoindole-1,3-dione
| Molecular Formula | C12H13BrNO4PS2 |
|---|---|
| Molecular Weight | 408.92 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.9207 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 10312-19-3 |
|---|---|
| SMILES | COP(=S)(OC)SC(CBr)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | OBEHAXQUCIQWHH-UHFFFAOYSA-N |
Product Overview
Hercules 13842 (CAS 10312-19-3), with molecular formula C12H13BrNO4PS2 and molecular weight 408.92 g/mol. IUPAC: 2-(2-bromo-1-dimethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione.
Chemical Property Profile of Hercules 13842
Property Insights of Hercules 13842
The XLogP value of 3.2 indicates that Hercules 13842 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 13842. Following Lipinski's Rule of Five, Hercules 13842 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 13842?
The CAS number of Hercules 13842 is 10312-19-3.
What is the molecular formula of Hercules 13842?
The molecular formula of Hercules 13842 is C12H13BrNO4PS2.
What is the molecular weight of Hercules 13842?
The molecular weight of Hercules 13842 is 408.92 g/mol.
Where can I buy Hercules 13842?
You can request a quote for Hercules 13842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 13842?
Yes, KEHONG BIO provides custom synthesis services for Hercules 13842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.