AB00091153-01
TL;DR: AB00091153-01 (CAS 418803-49-3) is a chemical compound with molecular formula C11H7Cl2N3O2S and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dichlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: AB00091153-01, F3220-0535, 5-{[(2,5-dichlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(((2,5-dichlorophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,5-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H7Cl2N3O2S |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 3.19549 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.9636 |
| Heavy Atoms | 19 |
| Complexity | 767.2661 |
Chemical Identifiers
| CAS Number | 418803-49-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N=CC2=C(NC(=S)NC2=O)O)Cl |
Product Overview
AB00091153-01 (CAS 418803-49-3), with molecular formula C11H7Cl2N3O2S and molecular weight 314.96 g/mol. IUPAC: 5-[(2,5-dichlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of AB00091153-01
Property Insights of AB00091153-01
The XLogP value of 3.19549 indicates that AB00091153-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00091153-01. Following Lipinski's Rule of Five, AB00091153-01 has 3 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 AB00091153-01?
The CAS number of AB00091153-01 is 418803-49-3.
What is the molecular formula of AB00091153-01?
The molecular formula of AB00091153-01 is C11H7Cl2N3O2S.
What is the molecular weight of AB00091153-01?
The molecular weight of AB00091153-01 is 314.96 g/mol.
Where can I buy AB00091153-01?
You can request a quote for AB00091153-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091153-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091153-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.