[(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide
TL;DR: [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide (CAS 22936-03-4) is a chemical compound with molecular formula C14H21N2O6PS and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylideneamino] N-methylcarbamate
Also Known As: [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide
| Molecular Formula | C14H21N2O6PS |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 376.0858 |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 22936-03-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=C(C=C1)C=NOC(=O)NC)OC |
| InChIKey | QSIYRGASUIPZLG-UHFFFAOYSA-N |
Product Overview
[(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide (CAS 22936-03-4), with molecular formula C14H21N2O6PS and molecular weight 376.09 g/mol. IUPAC: [(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylideneamino] N-methylcarbamate.
Chemical Property Profile of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide
Property Insights of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide
The XLogP value of 3.4 indicates that [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide. Following Lipinski's Rule of Five, [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide has 1 hydrogen bond donor(s) and 8 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 [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide?
The CAS number of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide is 22936-03-4.
What is the molecular formula of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide?
The molecular formula of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide is C14H21N2O6PS.
What is the molecular weight of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide?
The molecular weight of [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide is 376.09 g/mol.
Where can I buy [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide?
You can request a quote for [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide?
Yes, KEHONG BIO provides custom synthesis services for [(E)-(4-diethoxyphosphinothioyloxy-3-methoxyphenyl)methylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.