CBKinase1_000149
TL;DR: CBKinase1_000149 (CAS 374099-33-9) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-butan-2-yl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Also Known As: CBKinase1_000149, CBKinase1_012549, BRD-A71643431-001-01-5, 2-((5-(sec-butyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-phenylacetamide, 2-[(5-butan-2-yl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.7198 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 731.09546 |
Chemical Identifiers
| CAS Number | 374099-33-9 |
|---|---|
| SMILES | CCC(C)C1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2)O |
Product Overview
CBKinase1_000149 (CAS 374099-33-9), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: 2-[(5-butan-2-yl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of CBKinase1_000149
Property Insights of CBKinase1_000149
The XLogP value of 2.7198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_000149. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000149. Following Lipinski's Rule of Five, CBKinase1_000149 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 CBKinase1_000149?
The CAS number of CBKinase1_000149 is 374099-33-9.
What is the molecular formula of CBKinase1_000149?
The molecular formula of CBKinase1_000149 is C16H19N3O3S.
What is the molecular weight of CBKinase1_000149?
The molecular weight of CBKinase1_000149 is 333.11 g/mol.
Where can I buy CBKinase1_000149?
You can request a quote for CBKinase1_000149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000149?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.