5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 339096-63-8) is a chemical compound with molecular formula C10H7ClN4O2S and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-chloro-2-pyridinyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, F3220-0579, 5-[[(5-Chloro-2-pyridinyl)amino]methylene]dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, 5-{[(5-CHLOROPYRIDIN-2-YL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-[(5-chloropyridin-2-yl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C10H7ClN4O2S |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 1.93709 |
| Topological Polar Surface Area | 94.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.99783 |
| Heavy Atoms | 18 |
| Complexity | 705.053 |
Chemical Identifiers
| CAS Number | 339096-63-8 |
|---|---|
| SMILES | C1=CC(=NC=C1Cl)N=CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 339096-63-8), with molecular formula C10H7ClN4O2S and molecular weight 282.00 g/mol. IUPAC: 5-[(5-chloro-2-pyridinyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.93709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 94.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 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 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 339096-63-8.
What is the molecular formula of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C10H7ClN4O2S.
What is the molecular weight of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 282.00 g/mol.
Where can I buy 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((5-chloropyridin-2-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.