AJ-030/12106037
TL;DR: AJ-030/12106037 (CAS 69791-22-6) is a chemical compound with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: AJ-030/12106037, 5-[(4-chloroanilino)methylene]-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(4-chloroanilino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one, 5-[[(4-Chlorophenyl)amino]methylene]dihydro-1,3-dimethyl-2-thioxo-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C13H12ClN3O2S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 2.56289 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03387 |
| Heavy Atoms | 20 |
| Complexity | 790.9892 |
Chemical Identifiers
| CAS Number | 69791-22-6 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C=NC2=CC=C(C=C2)Cl)O |
Product Overview
AJ-030/12106037 (CAS 69791-22-6), with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol. IUPAC: 5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of AJ-030/12106037
Property Insights of AJ-030/12106037
The XLogP value of 2.56289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-030/12106037. With a topological polar surface area (TPSA) of 59.52 Ų, AJ-030/12106037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-030/12106037 has 1 hydrogen bond donor(s) and 4 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 AJ-030/12106037?
The CAS number of AJ-030/12106037 is 69791-22-6.
What is the molecular formula of AJ-030/12106037?
The molecular formula of AJ-030/12106037 is C13H12ClN3O2S.
What is the molecular weight of AJ-030/12106037?
The molecular weight of AJ-030/12106037 is 309.03 g/mol.
Where can I buy AJ-030/12106037?
You can request a quote for AJ-030/12106037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-030/12106037?
Yes, KEHONG BIO provides custom synthesis services for AJ-030/12106037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.