AI 3-27326
TL;DR: AI 3-27326 (CAS 19645-42-2) is a chemical compound with molecular formula C11H16NO5PS2 and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(4-nitro-3-propan-2-ylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 69047, BAY 69047, ENT 27,326, AI3-27326, AI 3-27326
| Molecular Formula | C11H16NO5PS2 |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.02075 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 19645-42-2 |
|---|---|
| SMILES | CC(C)SC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] |
| InChIKey | KKHXDXQJMZXBTP-UHFFFAOYSA-N |
Product Overview
AI 3-27326 (CAS 19645-42-2), with molecular formula C11H16NO5PS2 and molecular weight 337.02 g/mol. IUPAC: dimethoxy-(4-nitro-3-propan-2-ylsulfanylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of AI 3-27326
Property Insights of AI 3-27326
The XLogP value of 4.1 indicates that AI 3-27326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27326. Following Lipinski's Rule of Five, AI 3-27326 has 0 hydrogen bond donor(s) and 7 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 3-27326?
The CAS number of AI 3-27326 is 19645-42-2.
What is the molecular formula of AI 3-27326?
The molecular formula of AI 3-27326 is C11H16NO5PS2.
What is the molecular weight of AI 3-27326?
The molecular weight of AI 3-27326 is 337.02 g/mol.
Where can I buy AI 3-27326?
You can request a quote for AI 3-27326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27326?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.