3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
TL;DR: 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one (CAS 5540-82-9) is a chemical compound with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 3-(4-pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one, 3-(4-pentoxyphenyl)-2-thioxo-hexahydropyrimidin-4-one, 3-[4-(Pentyloxy)phenyl]-2-sulfanylidene-1,3-diazinan-4-one, 4(1H)-Pyrimidinone, tetrahydro-3-[4-(pentyloxy)phenyl]-2-thioxo-, RefChem:274882
| Molecular Formula | C15H20N2O2S |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.8668 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.12454 |
| Heavy Atoms | 20 |
| Complexity | 457.26678 |
Chemical Identifiers
| CAS Number | 5540-82-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)N2C(=O)CCNC2=S |
Product Overview
3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one (CAS 5540-82-9), with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol. IUPAC: 3-(4-pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
Property Insights of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
The XLogP value of 2.8668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one. With a topological polar surface area (TPSA) of 41.57 Ų, 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one has 1 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 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one?
The CAS number of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one is 5540-82-9.
What is the molecular formula of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one?
The molecular formula of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one is C15H20N2O2S.
What is the molecular weight of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one?
The molecular weight of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one is 292.12 g/mol.
Where can I buy 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one?
You can request a quote for 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.