N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea
TL;DR: N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea (CAS 861211-26-9) is a chemical compound with molecular formula C8H10N4O2S and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-5-propanoyl-1H-pyrimidin-2-yl)thiourea
Also Known As: N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea, (6-oxo-5-propanoyl-1,6-dihydropyrimidin-2-yl)thiourea, (6-oxo-5-propanoyl-1H-pyrimidin-2-yl)thiourea, 4-oxo-5-propanoyl-3H-pyrimidin-2-ylthiourea, 2X-0315
| Molecular Formula | C8H10N4O2S |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 0.0181 |
| Topological Polar Surface Area | 100.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05244 |
| Heavy Atoms | 15 |
| Complexity | 454.20004 |
Chemical Identifiers
| CAS Number | 861211-26-9 |
|---|---|
| SMILES | CCC(=O)C1=CN=C(NC1=O)NC(=S)N |
Product Overview
N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea (CAS 861211-26-9), with molecular formula C8H10N4O2S and molecular weight 226.05 g/mol. IUPAC: (6-oxo-5-propanoyl-1H-pyrimidin-2-yl)thiourea.
Chemical Property Profile of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea
Property Insights of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea
The XLogP value of 0.0181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea. The TPSA of 100.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea. Following Lipinski's Rule of Five, N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea has 3 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 N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea?
The CAS number of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea is 861211-26-9.
What is the molecular formula of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea?
The molecular formula of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea is C8H10N4O2S.
What is the molecular weight of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea?
The molecular weight of N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea is 226.05 g/mol.
Where can I buy N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea?
You can request a quote for N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(6-oxo-5-propionyl-1,6-dihydro-2-pyrimidinyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.