6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one
TL;DR: 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one (CAS 71411-75-1) is a chemical compound with molecular formula C12H21N3OS and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: EINECS 275-380-6, 6-Amino-5-octyl-2-sulfanylpyrimidin-4-ol, 6-amino-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one, 6-Amino-5-octyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C12H21N3OS |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 2.91769 |
| Topological Polar Surface Area | 74.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.14053 |
| Heavy Atoms | 17 |
| Complexity | 449.79935 |
Chemical Identifiers
| CAS Number | 71411-75-1 |
|---|---|
| SMILES | CCCCCCCCC1=C(NC(=S)NC1=O)N |
Product Overview
6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one (CAS 71411-75-1), with molecular formula C12H21N3OS and molecular weight 255.14 g/mol. IUPAC: 6-amino-5-octyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one
Property Insights of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one
The XLogP value of 2.91769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one. The TPSA of 74.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one has 3 hydrogen bond donor(s) and 3 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 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one?
The CAS number of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one is 71411-75-1.
What is the molecular formula of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one?
The molecular formula of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one is C12H21N3OS.
What is the molecular weight of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one?
The molecular weight of 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one is 255.14 g/mol.
Where can I buy 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one?
You can request a quote for 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2,3-dihydro-5-octyl-2-thioxo-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.