VU0499695-1
TL;DR: VU0499695-1 (CAS 900002-59-7) is a chemical compound with molecular formula C16H15N3O6S and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: VU0499695-1, F2800-0101, ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate, ethyl 6-methyl-4-((2-(3-nitrophenyl)-2-oxoethyl)thio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-methyl-4-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H15N3O6S |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 2.13822 |
| Topological Polar Surface Area | 132.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.06815 |
| Heavy Atoms | 26 |
| Complexity | 924.44135 |
Chemical Identifiers
| CAS Number | 900002-59-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
VU0499695-1 (CAS 900002-59-7), with molecular formula C16H15N3O6S and molecular weight 377.07 g/mol. IUPAC: ethyl 6-methyl-4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of VU0499695-1
Property Insights of VU0499695-1
The XLogP value of 2.13822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0499695-1. The TPSA of 132.26 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0499695-1. Following Lipinski's Rule of Five, VU0499695-1 has 1 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 VU0499695-1?
The CAS number of VU0499695-1 is 900002-59-7.
What is the molecular formula of VU0499695-1?
The molecular formula of VU0499695-1 is C16H15N3O6S.
What is the molecular weight of VU0499695-1?
The molecular weight of VU0499695-1 is 377.07 g/mol.
Where can I buy VU0499695-1?
You can request a quote for VU0499695-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0499695-1?
Yes, KEHONG BIO provides custom synthesis services for VU0499695-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.