![[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone structure](/static/products/6789/678972-65-1.webp)
[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
TL;DR: [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone (CAS 678972-65-1) is a chemical compound with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
Also Known As: [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone|[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl](phenyl)methanone|Phenyl[1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-thioxo-5-pyrimidinyl]methanone|[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone|5-BENZOYL-4-(4-HYDROXY-3-METHOXY-2-NITROPHENYL)-6-PHENYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE|Phenyl(1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-thioxo-5-pyrimidinyl)methanone|RefChem:369729
| Molecular Formula | C24H19N3O5S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.122 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.10455 |
| Heavy Atoms | 33 |
| Complexity | 1276.017 |
Chemical Identifiers
| CAS Number | 678972-65-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O |
Product Overview
[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone (CAS 678972-65-1), with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol. IUPAC: [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone.
Chemical Property Profile of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
Property Insights of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
The XLogP value of 4.122 indicates that [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone. Following Lipinski's Rule of Five, [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone has 3 hydrogen bond donor(s) and 6 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 [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone?
The CAS number of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone is 678972-65-1.
What is the molecular formula of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone?
The molecular formula of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone is C24H19N3O5S.
What is the molecular weight of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone?
The molecular weight of [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone is 461.10 g/mol.
Where can I buy [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone?
You can request a quote for [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.