A2883/0121554
TL;DR: A2883/0121554 (CAS 488793-62-0) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-oxo-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile
Also Known As: A2883/0121554, 2,2-dimethyl-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2,2-dimethyl-6-oxo-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile, 6-mercapto-2,2-dimethyl-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, Pyrimidine-5-carbonitrile, 6-mercapto-2,2-dimethyl-4-oxo-1-phenyl-1,2,3,4-tetrahydro-
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 488793-62-0 |
|---|---|
| SMILES | CC1(NC(=O)C(=C(N1C2=CC=CC=C2)S)C#N)C |
| InChIKey | FVQMTKZETFZPBV-UHFFFAOYSA-N |
Product Overview
A2883/0121554 (CAS 488793-62-0), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 2,2-dimethyl-6-oxo-3-phenyl-4-sulfanyl-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of A2883/0121554
Property Insights of A2883/0121554
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2883/0121554. With a topological polar surface area (TPSA) of 57.1 Ų, A2883/0121554 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2883/0121554 has 2 hydrogen bond donor(s) and 4 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 A2883/0121554?
The CAS number of A2883/0121554 is 488793-62-0.
What is the molecular formula of A2883/0121554?
The molecular formula of A2883/0121554 is C13H13N3OS.
What is the molecular weight of A2883/0121554?
The molecular weight of A2883/0121554 is 259.08 g/mol.
Where can I buy A2883/0121554?
You can request a quote for A2883/0121554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2883/0121554?
Yes, KEHONG BIO provides custom synthesis services for A2883/0121554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.