AS-871/40989947
TL;DR: AS-871/40989947 (CAS 444059-36-3) is a chemical compound with molecular formula C11H9N5O5S and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(2-methoxy-5-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: AS-871/40989947, 2-thioxodihydro-4,5,6(1H)-pyrimidinetrione 5-({5-nitro-2-methoxyphenyl}hydrazone), 5-[(2-methoxy-5-nitrophenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2-methoxy-5-nitrophenyl)hydrazono]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C11H9N5O5S |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.47029 |
| Topological Polar Surface Area | 145.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.03244 |
| Heavy Atoms | 22 |
| Complexity | 871.907 |
Chemical Identifiers
| CAS Number | 444059-36-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(NC(=S)NC2=O)O |
Product Overview
AS-871/40989947 (CAS 444059-36-3), with molecular formula C11H9N5O5S and molecular weight 323.03 g/mol. IUPAC: 6-hydroxy-5-[(2-methoxy-5-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of AS-871/40989947
Property Insights of AS-871/40989947
The XLogP value of 2.47029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/40989947. The TPSA of 145.97 Ų indicates high polarity, suggesting AS-871/40989947 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AS-871/40989947 has 3 hydrogen bond donor(s) and 8 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 AS-871/40989947?
The CAS number of AS-871/40989947 is 444059-36-3.
What is the molecular formula of AS-871/40989947?
The molecular formula of AS-871/40989947 is C11H9N5O5S.
What is the molecular weight of AS-871/40989947?
The molecular weight of AS-871/40989947 is 323.03 g/mol.
Where can I buy AS-871/40989947?
You can request a quote for AS-871/40989947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40989947?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40989947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.