AI 3-52793
TL;DR: AI 3-52793 (CAS 32319-90-7) is a chemical compound with molecular formula C8H14FN3O2S and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoroethyl)-1-nitroso-3-(thian-4-yl)urea
Also Known As: 1- -1-nitroso-3- urea, AI 3-52793, AI3-52793, KST-1B3220, 1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea
| Molecular Formula | C8H14FN3O2S |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07907 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 32319-90-7 |
|---|---|
| SMILES | C1CSCCC1NC(=O)N(CCF)N=O |
| InChIKey | RASQWFNMYUIFFE-UHFFFAOYSA-N |
Product Overview
AI 3-52793 (CAS 32319-90-7), with molecular formula C8H14FN3O2S and molecular weight 235.08 g/mol. IUPAC: 1-(2-fluoroethyl)-1-nitroso-3-(thian-4-yl)urea.
Chemical Property Profile of AI 3-52793
Property Insights of AI 3-52793
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI 3-52793. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-52793. Following Lipinski's Rule of Five, AI 3-52793 has 1 hydrogen bond donor(s) and 5 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 3-52793?
The CAS number of AI 3-52793 is 32319-90-7.
What is the molecular formula of AI 3-52793?
The molecular formula of AI 3-52793 is C8H14FN3O2S.
What is the molecular weight of AI 3-52793?
The molecular weight of AI 3-52793 is 235.08 g/mol.
Where can I buy AI 3-52793?
You can request a quote for AI 3-52793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-52793?
Yes, KEHONG BIO provides custom synthesis services for AI 3-52793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.