![2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile structure](/static/products/5013/501349-50-4.webp)
2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 501349-50-4) is a chemical compound with molecular formula C25H29N3O2S and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-octoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-(4-octoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 2-(4-octoxyphenyl)-4-oxo-1-phenyl-6-sulfanyl-2,3-dihydropyrimidine-5-carbonitrile, 2-(4-octyloxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihydropyrimidine-5-carb onitrile
| Molecular Formula | C25H29N3O2S |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 5.72588 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.19806 |
| Heavy Atoms | 31 |
| Complexity | 935.4895 |
Chemical Identifiers
| CAS Number | 501349-50-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N |
Product Overview
2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 501349-50-4), with molecular formula C25H29N3O2S and molecular weight 435.20 g/mol. IUPAC: 2-(4-octoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 5.72588 indicates that 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 501349-50-4.
What is the molecular formula of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C25H29N3O2S.
What is the molecular weight of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 435.20 g/mol.
Where can I buy 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(octyloxy)phenyl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.