AI 3-27654
TL;DR: AI 3-27654 (CAS 22936-34-1) is a chemical compound with molecular formula C15H22NO6PS and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] ethyl carbonate
Also Known As: Stauffer R 15018, AI3-27654, AI 3-27654, R 15018, O-(4-(1-(((Ethoxycarbonyl)oxy)imino)ethyl)phenyl) O,O-diethyl phosphorothioate
| Molecular Formula | C15H22NO6PS |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 75.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.09055 |
| Heavy Atoms | 24 |
| Complexity | 594.48676 |
Chemical Identifiers
| CAS Number | 22936-34-1 |
|---|---|
| SMILES | CCOC(=O)O/N=C(\C)/C1=CC=C(C=C1)OP(=S)(OCC)OCC |
Product Overview
AI 3-27654 (CAS 22936-34-1), with molecular formula C15H22NO6PS and molecular weight 375.09 g/mol. IUPAC: [(E)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] ethyl carbonate.
Chemical Property Profile of AI 3-27654
Property Insights of AI 3-27654
The XLogP value of 4.26 indicates that AI 3-27654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27654. Following Lipinski's Rule of Five, AI 3-27654 has 0 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 AI 3-27654?
The CAS number of AI 3-27654 is 22936-34-1.
What is the molecular formula of AI 3-27654?
The molecular formula of AI 3-27654 is C15H22NO6PS.
What is the molecular weight of AI 3-27654?
The molecular weight of AI 3-27654 is 375.09 g/mol.
Where can I buy AI 3-27654?
You can request a quote for AI 3-27654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27654?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.