Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate
TL;DR: Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate (CAS 87647-72-1) is a chemical compound with molecular formula C12H18NO4PS and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[amino(ethylsulfanyl)phosphoryl]oxybenzoate
Also Known As: Benzoic acid, 2-((amino(ethylthio)phosphinyl)oxy)-, 1-methylethyl ester, Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate, propan-2-yl 2-[amino(ethylsulfanyl)phosphoryl]oxybenzoate, Propan-2-yl 2-{[amino(ethylsulfanyl)phosphoryl]oxy}benzoate, RefChem:379856
| Molecular Formula | C12H18NO4PS |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 3.4505 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.06943 |
| Heavy Atoms | 19 |
| Complexity | 492.37265 |
Chemical Identifiers
| CAS Number | 87647-72-1 |
|---|---|
| SMILES | CCSP(=O)(N)OC1=CC=CC=C1C(=O)OC(C)C |
Product Overview
Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate (CAS 87647-72-1), with molecular formula C12H18NO4PS and molecular weight 303.07 g/mol. IUPAC: propan-2-yl 2-[amino(ethylsulfanyl)phosphoryl]oxybenzoate.
Chemical Property Profile of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate
Property Insights of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate
The XLogP value of 3.4505 indicates that Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate. Following Lipinski's Rule of Five, Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate has 1 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 Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate?
The CAS number of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate is 87647-72-1.
What is the molecular formula of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate?
The molecular formula of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate is C12H18NO4PS.
What is the molecular weight of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate?
The molecular weight of Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate is 303.07 g/mol.
Where can I buy Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate?
You can request a quote for Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, isopropyl ester, ester with S-ethyl phosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.