6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 56510-28-2) is a chemical compound with molecular formula C21H38N2OS and molecular weight 366.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-Heptadecyl-2-thiouracil, NCIOpen2_007767, 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-heptadecyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-Heptadecyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C21H38N2OS |
|---|---|
| Molecular Weight | 366.27 g/mol |
| LogP | 6.84639 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 366.27048 |
| Heavy Atoms | 25 |
| Complexity | 506.93787 |
Chemical Identifiers
| CAS Number | 56510-28-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=CC(=O)NC(=S)N1 |
Product Overview
6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 56510-28-2), with molecular formula C21H38N2OS and molecular weight 366.27 g/mol. IUPAC: 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 6.84639 indicates that 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one is 56510-28-2.
What is the molecular formula of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one is C21H38N2OS.
What is the molecular weight of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one is 366.27 g/mol.
Where can I buy 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-heptadecyl-2-sulfanylidene-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-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.