AI3-27465
TL;DR: AI3-27465 (CAS 3895-98-5) is a chemical compound with molecular formula C17H16NO5PS and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-dimethoxyphosphinothioyloxyisoindole-1,3-dione
Also Known As: AI3-27465, 2-benzyl-5-dimethoxyphosphinothioyloxyisoindole-1,3-dione, Phosphorothioic acid, O-(2,3-dihydro-1,3-dioxo-2-(phenylmethyl)-1H-isoindol-5-yl) O,O-dimethyl ester, O-(2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl) O,O-dimethyl phosphorothioate
| Molecular Formula | C17H16NO5PS |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 3.3789 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.04868 |
| Heavy Atoms | 25 |
| Complexity | 862.59686 |
Chemical Identifiers
| CAS Number | 3895-98-5 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3 |
Product Overview
AI3-27465 (CAS 3895-98-5), with molecular formula C17H16NO5PS and molecular weight 377.05 g/mol. IUPAC: 2-benzyl-5-dimethoxyphosphinothioyloxyisoindole-1,3-dione.
Chemical Property Profile of AI3-27465
Property Insights of AI3-27465
The XLogP value of 3.3789 indicates that AI3-27465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AI3-27465. Following Lipinski's Rule of Five, AI3-27465 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 AI3-27465?
The CAS number of AI3-27465 is 3895-98-5.
What is the molecular formula of AI3-27465?
The molecular formula of AI3-27465 is C17H16NO5PS.
What is the molecular weight of AI3-27465?
The molecular weight of AI3-27465 is 377.05 g/mol.
Where can I buy AI3-27465?
You can request a quote for AI3-27465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI3-27465?
Yes, KEHONG BIO provides custom synthesis services for AI3-27465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.