Hercules 7845-C
TL;DR: Hercules 7845-C (CAS 58995-44-1) is a chemical compound with molecular formula C7H12NO4PS2 and molecular weight 268.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxyphosphinothioylsulfanylmethyl)pyrrolidine-2,5-dione
Also Known As: Hercules 7845-C, Hercules-7845C, Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)succinimide, 1-(dimethoxyphosphinothioylsulfanylmethyl)pyrrolidine-2,5-dione, s-[(2,5-dioxopyrrolidin-1-yl)methyl] o,o-dimethyl phosphorodithioate
| Molecular Formula | C7H12NO4PS2 |
|---|---|
| Molecular Weight | 268.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.99454 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 58995-44-1 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C(=O)CCC1=O |
| InChIKey | DXESWGDCFGIHKC-UHFFFAOYSA-N |
Product Overview
Hercules 7845-C (CAS 58995-44-1), with molecular formula C7H12NO4PS2 and molecular weight 268.99 g/mol. IUPAC: 1-(dimethoxyphosphinothioylsulfanylmethyl)pyrrolidine-2,5-dione.
Chemical Property Profile of Hercules 7845-C
Property Insights of Hercules 7845-C
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hercules 7845-C. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hercules 7845-C. Following Lipinski's Rule of Five, Hercules 7845-C 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 7845-C?
The CAS number of Hercules 7845-C is 58995-44-1.
What is the molecular formula of Hercules 7845-C?
The molecular formula of Hercules 7845-C is C7H12NO4PS2.
What is the molecular weight of Hercules 7845-C?
The molecular weight of Hercules 7845-C is 268.99 g/mol.
Where can I buy Hercules 7845-C?
You can request a quote for Hercules 7845-C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 7845-C?
Yes, KEHONG BIO provides custom synthesis services for Hercules 7845-C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.