AI 3-23445
TL;DR: AI 3-23445 (CAS 5823-25-6) is a chemical compound with molecular formula C8H17O5PS and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphinothioyloxyacetate
Also Known As: Preparation 11, Bayer 18613, starbld0007191, [oxy]aceticacidethylester, [ oxy]aceticacidethylester
| Molecular Formula | C8H17O5PS |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 256.05344 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5823-25-6 |
|---|---|
| SMILES | CCOC(=O)COP(=S)(OCC)OCC |
| InChIKey | FCZCIXQGZOUIDN-UHFFFAOYSA-N |
Product Overview
AI 3-23445 (CAS 5823-25-6), with molecular formula C8H17O5PS and molecular weight 256.05 g/mol. IUPAC: ethyl 2-diethoxyphosphinothioyloxyacetate.
Chemical Property Profile of AI 3-23445
Property Insights of AI 3-23445
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI 3-23445. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-23445. Following Lipinski's Rule of Five, AI 3-23445 has 0 hydrogen bond donor(s) and 6 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 3-23445?
The CAS number of AI 3-23445 is 5823-25-6.
What is the molecular formula of AI 3-23445?
The molecular formula of AI 3-23445 is C8H17O5PS.
What is the molecular weight of AI 3-23445?
The molecular weight of AI 3-23445 is 256.05 g/mol.
Where can I buy AI 3-23445?
You can request a quote for AI 3-23445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-23445?
Yes, KEHONG BIO provides custom synthesis services for AI 3-23445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.