AI 3-27122
TL;DR: AI 3-27122 (CAS 17702-79-3) is a chemical compound with molecular formula C11H19N2O2PS2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethoxy-propoxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer R-5762, ENT 27,122, AI3-27122, R 5762, AI 3-27122
| Molecular Formula | C11H19N2O2PS2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.06256 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 17702-79-3 |
|---|---|
| SMILES | CCCOP(=S)(OCC)SC1=NC(=CC(=N1)C)C |
| InChIKey | NHYHUYCPBYGOOU-UHFFFAOYSA-N |
Product Overview
AI 3-27122 (CAS 17702-79-3), with molecular formula C11H19N2O2PS2 and molecular weight 306.06 g/mol. IUPAC: (4,6-dimethylpyrimidin-2-yl)sulfanyl-ethoxy-propoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of AI 3-27122
Property Insights of AI 3-27122
The XLogP value of 3.9 indicates that AI 3-27122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27122. Following Lipinski's Rule of Five, AI 3-27122 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 3-27122?
The CAS number of AI 3-27122 is 17702-79-3.
What is the molecular formula of AI 3-27122?
The molecular formula of AI 3-27122 is C11H19N2O2PS2.
What is the molecular weight of AI 3-27122?
The molecular weight of AI 3-27122 is 306.06 g/mol.
Where can I buy AI 3-27122?
You can request a quote for AI 3-27122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27122?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.