Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate
TL;DR: Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate (CAS 87647-71-0) is a chemical compound with molecular formula C11H16NO4PS and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[amino(methylsulfanyl)phosphoryl]oxybenzoate
Also Known As: Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate, Benzoic acid, 2-((amino(methylthio)phosphinyl)oxy)-, 1-methylethyl ester, propan-2-yl 2-[amino(methylsulfanyl)phosphoryl]oxybenzoate, Propan-2-yl 2-{[amino(methylsulfanyl)phosphoryl]oxy}benzoate, PROPAN-2-YL 2-(AMINO-METHYLSULFANYL-PHOSPHORYL)OXYBENZOATE
| Molecular Formula | C11H16NO4PS |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 3.0604 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05377 |
| Heavy Atoms | 18 |
| Complexity | 477.86594 |
Chemical Identifiers
| CAS Number | 87647-71-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1OP(=O)(N)SC |
Product Overview
Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate (CAS 87647-71-0), with molecular formula C11H16NO4PS and molecular weight 289.05 g/mol. IUPAC: propan-2-yl 2-[amino(methylsulfanyl)phosphoryl]oxybenzoate.
Chemical Property Profile of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate
Property Insights of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate
The XLogP value of 3.0604 indicates that Salicylic acid, isopropyl ester, ester with S-methyl 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-methyl phosphoramidothioate. Following Lipinski's Rule of Five, Salicylic acid, isopropyl ester, ester with S-methyl 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-methyl phosphoramidothioate?
The CAS number of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate is 87647-71-0.
What is the molecular formula of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate?
The molecular formula of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate is C11H16NO4PS.
What is the molecular weight of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate?
The molecular weight of Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate is 289.05 g/mol.
Where can I buy Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate?
You can request a quote for Salicylic acid, isopropyl ester, ester with S-methyl 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-methyl phosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.