C14H8ClN3O3S
TL;DR: C14H8ClN3O3S (CAS 799782-46-0) is a chemical compound with molecular formula C14H8ClN3O3S and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-(7-chloro-4-oxochromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: (E)-6-(((7-chloro-4-oxo-4H-chromen-3-yl)methylene)amino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-{[(E)-(7-chloro-4-oxo-4H-chromen-3-yl)methylidene]amino}-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C14H8ClN3O3S |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 2.94289 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.9975 |
| Heavy Atoms | 22 |
| Complexity | 1036.8466 |
Chemical Identifiers
| CAS Number | 799782-46-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC=C(C2=O)/C=N/C3=CC(=O)NC(=S)N3 |
Product Overview
C14H8ClN3O3S (CAS 799782-46-0), with molecular formula C14H8ClN3O3S and molecular weight 333.00 g/mol. IUPAC: 6-[(E)-(7-chloro-4-oxochromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of C14H8ClN3O3S
Property Insights of C14H8ClN3O3S
The XLogP value of 2.94289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H8ClN3O3S. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H8ClN3O3S. Following Lipinski's Rule of Five, C14H8ClN3O3S has 2 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 C14H8ClN3O3S?
The CAS number of C14H8ClN3O3S is 799782-46-0.
What is the molecular formula of C14H8ClN3O3S?
The molecular formula of C14H8ClN3O3S is C14H8ClN3O3S.
What is the molecular weight of C14H8ClN3O3S?
The molecular weight of C14H8ClN3O3S is 333.00 g/mol.
Where can I buy C14H8ClN3O3S?
You can request a quote for C14H8ClN3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H8ClN3O3S?
Yes, KEHONG BIO provides custom synthesis services for C14H8ClN3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.