AI 3-27608
TL;DR: AI 3-27608 (CAS 32575-80-7) is a chemical compound with molecular formula C12H17ClN3O3PS and molecular weight 349.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: BAY 79845, AI3-27608, AI 3-27608, Phosphorothioic acid, O-(3-chloro-5,7-dimethylpyrazolo(1,5-a)pyrimidin-2-yl) O,O-diethyl ester, 2-Pyrimidinephosphorothioic acid, 3-chloro-5,7-dimethylpyrazolyl-, O,O-diethyl ester
| Molecular Formula | C12H17ClN3O3PS |
|---|---|
| Molecular Weight | 349.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.0417 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 32575-80-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN2C(=CC(=NC2=C1Cl)C)C |
| InChIKey | ZZINKTZJPKHPRP-UHFFFAOYSA-N |
Product Overview
AI 3-27608 (CAS 32575-80-7), with molecular formula C12H17ClN3O3PS and molecular weight 349.04 g/mol. IUPAC: (3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of AI 3-27608
Property Insights of AI 3-27608
The XLogP value of 4.0 indicates that AI 3-27608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27608. Following Lipinski's Rule of Five, AI 3-27608 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 3-27608?
The CAS number of AI 3-27608 is 32575-80-7.
What is the molecular formula of AI 3-27608?
The molecular formula of AI 3-27608 is C12H17ClN3O3PS.
What is the molecular weight of AI 3-27608?
The molecular weight of AI 3-27608 is 349.04 g/mol.
Where can I buy AI 3-27608?
You can request a quote for AI 3-27608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27608?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.