Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate
TL;DR: Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate (CAS 87647-73-2) is a chemical compound with molecular formula C13H20NO4PS and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[amino(propan-2-ylsulfanyl)phosphoryl]oxybenzoate
Also Known As: propan-2-yl2- oxybenzoate, Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate, Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester, propan-2-yl 2-[amino(propan-2-ylsulfanyl)phosphoryl]oxybenzoate, Propan-2-yl 2-({amino[(propan-2-yl)sulfanyl]phosphoryl}oxy)benzoate
| Molecular Formula | C13H20NO4PS |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 3.839 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.08505 |
| Heavy Atoms | 20 |
| Complexity | 518.84753 |
Chemical Identifiers
| CAS Number | 87647-73-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1OP(=O)(N)SC(C)C |
Product Overview
Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate (CAS 87647-73-2), with molecular formula C13H20NO4PS and molecular weight 317.09 g/mol. IUPAC: propan-2-yl 2-[amino(propan-2-ylsulfanyl)phosphoryl]oxybenzoate.
Chemical Property Profile of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate
Property Insights of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate
The XLogP value of 3.839 indicates that Salicylic acid, isopropyl ester, ester with S-isopropyl 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-isopropyl phosphoramidothioate. Following Lipinski's Rule of Five, Salicylic acid, isopropyl ester, ester with S-isopropyl 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-isopropyl phosphoramidothioate?
The CAS number of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate is 87647-73-2.
What is the molecular formula of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate?
The molecular formula of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate is C13H20NO4PS.
What is the molecular weight of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate?
The molecular weight of Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate is 317.09 g/mol.
Where can I buy Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate?
You can request a quote for Salicylic acid, isopropyl ester, ester with S-isopropyl 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-isopropyl phosphoramidothioate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.