Opera_ID_1560
TL;DR: Opera_ID_1560 (CAS 899401-50-4) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-6-yl] acetate
Also Known As: (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-6-yl acetate, [4-oxo-3-[(6-oxo-2-sulfanylidene-3H-pyrimidin-4-yl)iminomethyl]chromen-6-yl] Acetate, Acetic acid 4-oxo-3-{[(E)-6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylimino]-methyl}-4H-chromen-6-yl ester, Opera_ID_1560
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 2.21479 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 1144.3342 |
Chemical Identifiers
| CAS Number | 899401-50-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC=C(C2=O)/C=N/C3=CC(=O)NC(=S)N3 |
Product Overview
Opera_ID_1560 (CAS 899401-50-4), with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol. IUPAC: [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-6-yl] acetate.
Chemical Property Profile of Opera_ID_1560
Property Insights of Opera_ID_1560
The XLogP value of 2.21479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_1560. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1560. Following Lipinski's Rule of Five, Opera_ID_1560 has 2 hydrogen bond donor(s) and 7 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 Opera_ID_1560?
The CAS number of Opera_ID_1560 is 899401-50-4.
What is the molecular formula of Opera_ID_1560?
The molecular formula of Opera_ID_1560 is C16H11N3O5S.
What is the molecular weight of Opera_ID_1560?
The molecular weight of Opera_ID_1560 is 357.04 g/mol.
Where can I buy Opera_ID_1560?
You can request a quote for Opera_ID_1560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_1560?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_1560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.