4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one
TL;DR: 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 1022007-98-2) is a chemical compound with molecular formula C15H20ClN2O3PS2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one, 3-((DIETHOXYTHIOXOPHOSPHINOTHIO)METHYL)-4-CHLORO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenyl-pyrazol-3-one, C15H20ClN2O3PS2
| Molecular Formula | C15H20ClN2O3PS2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 4.3601 |
| Topological Polar Surface Area | 45.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.03415 |
| Heavy Atoms | 24 |
| Complexity | 782.00714 |
Chemical Identifiers
| CAS Number | 1022007-98-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=C(C(=O)N(N1C)C2=CC=CC=C2)Cl |
Product Overview
4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 1022007-98-2), with molecular formula C15H20ClN2O3PS2 and molecular weight 406.03 g/mol. IUPAC: 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one
Property Insights of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one
The XLogP value of 4.3601 indicates that 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.39 Ų, 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 5 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 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one is 1022007-98-2.
What is the molecular formula of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one is C15H20ClN2O3PS2.
What is the molecular weight of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one is 406.03 g/mol.
Where can I buy 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-5-(diethoxyphosphinothioylsulfanylmethyl)-1-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.