AI 3-27647
TL;DR: AI 3-27647 (CAS 22935-72-4) is a chemical compound with molecular formula C16H23N2O6PS and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] morpholine-4-carboxylate
Also Known As: Stauffer R 15996, AI3-27647, AI 3-27647, R 15996, 4-(O-(O,O-Diethylphosphorothioyl))benzaldoximino-N-morpholinylcarbamate
| Molecular Formula | C16H23N2O6PS |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 3.1656 |
| Topological Polar Surface Area | 78.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.10144 |
| Heavy Atoms | 26 |
| Complexity | 638.64496 |
Chemical Identifiers
| CAS Number | 22935-72-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N2CCOCC2 |
Product Overview
AI 3-27647 (CAS 22935-72-4), with molecular formula C16H23N2O6PS and molecular weight 402.10 g/mol. IUPAC: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] morpholine-4-carboxylate.
Chemical Property Profile of AI 3-27647
Property Insights of AI 3-27647
The XLogP value of 3.1656 indicates that AI 3-27647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27647. Following Lipinski's Rule of Five, AI 3-27647 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 3-27647?
The CAS number of AI 3-27647 is 22935-72-4.
What is the molecular formula of AI 3-27647?
The molecular formula of AI 3-27647 is C16H23N2O6PS.
What is the molecular weight of AI 3-27647?
The molecular weight of AI 3-27647 is 402.10 g/mol.
Where can I buy AI 3-27647?
You can request a quote for AI 3-27647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27647?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.