Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate
TL;DR: Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate (CAS 41938-28-7) is a chemical compound with molecular formula C10H14ClO3PS and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
Also Known As: Ethyl p-(methylthio)-m-cresyl phosphorochloridate, ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate, Phosphorochloridic acid, ethyl 3-methyl-4-(methylthio)phenyl ester, 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene, Chloridophosphoric acid ethyl 3-methyl-4-(methylthio)phenyl ester
| Molecular Formula | C10H14ClO3PS |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 4.47912 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.00897 |
| Heavy Atoms | 16 |
| Complexity | 411.05066 |
Chemical Identifiers
| CAS Number | 41938-28-7 |
|---|---|
| SMILES | CCOP(=O)(OC1=CC(=C(C=C1)SC)C)Cl |
Product Overview
Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate (CAS 41938-28-7), with molecular formula C10H14ClO3PS and molecular weight 280.01 g/mol. IUPAC: 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene.
Chemical Property Profile of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate
Property Insights of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate
The XLogP value of 4.47912 indicates that Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate?
The CAS number of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate is 41938-28-7.
What is the molecular formula of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate?
The molecular formula of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate is C10H14ClO3PS.
What is the molecular weight of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate?
The molecular weight of Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate is 280.01 g/mol.
Where can I buy Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate?
You can request a quote for Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-4-(methylsulfanyl)phenyl phosphorochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.