Hercules 14469
TL;DR: Hercules 14469 (CAS 22343-07-3) is a chemical compound with molecular formula C15H22NO5PS2 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-(3-dimethoxyphosphinothioylsulfanyl-2-oxopropyl)carbamate
Also Known As: Hercules 14469, 3-(1-Methylethyl)phenyl(((dimethoxyphosphinothioyl)thio)acetyl)methylcarbamate, 2-Oxa-4-thia-7-aza-3-phosphaoctan-8-oic acid, 3-methoxy-7-methyl-6-oxo-, 3-(1-methylethyl)phenyl ester, 3-sulfide, 3-(1-Methylethyl)phenyl 3-methoxy-7-methyl-6-oxo-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfide, (3-propan-2-ylphenyl) N-(3-dimethoxyphosphinothioylsulfanyl-2-oxopropyl)carbamate
| Molecular Formula | C15H22NO5PS2 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.0677 |
| Heavy Atoms | 24 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 22343-07-3 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)NCC(=O)CSP(=S)(OC)OC |
| InChIKey | NEZZLYHNLCQXDS-UHFFFAOYSA-N |
Product Overview
Hercules 14469 (CAS 22343-07-3), with molecular formula C15H22NO5PS2 and molecular weight 391.07 g/mol. IUPAC: (3-propan-2-ylphenyl) N-(3-dimethoxyphosphinothioylsulfanyl-2-oxopropyl)carbamate.
Chemical Property Profile of Hercules 14469
Property Insights of Hercules 14469
The XLogP value of 3.8 indicates that Hercules 14469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hercules 14469. Following Lipinski's Rule of Five, Hercules 14469 has 1 hydrogen bond donor(s) and 7 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 14469?
The CAS number of Hercules 14469 is 22343-07-3.
What is the molecular formula of Hercules 14469?
The molecular formula of Hercules 14469 is C15H22NO5PS2.
What is the molecular weight of Hercules 14469?
The molecular weight of Hercules 14469 is 391.07 g/mol.
Where can I buy Hercules 14469?
You can request a quote for Hercules 14469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 14469?
Yes, KEHONG BIO provides custom synthesis services for Hercules 14469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.