![[4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone structure](/static/products/866/866153-36-8.png)
[4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone
TL;DR: [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone (CAS 866153-36-8) is a chemical compound with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone
Also Known As: [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone, (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone, 1-(4-tert-butylbenzoyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C22H25ClN2OS |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 5.7728 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1376 |
| Heavy Atoms | 27 |
| Complexity | 822.8864 |
Chemical Identifiers
| CAS Number | 866153-36-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN=C2SCC3=CC=C(C=C3)Cl |
Product Overview
[4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone (CAS 866153-36-8), with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol. IUPAC: (4-tert-butylphenyl)-[2-[(4-chlorophenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidin-1-yl]methanone.
Chemical Property Profile of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone
Property Insights of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone
The XLogP value of 5.7728 indicates that [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone?
The CAS number of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone is 866153-36-8.
What is the molecular formula of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone?
The molecular formula of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone is C22H25ClN2OS.
What is the molecular weight of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone?
The molecular weight of [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone is 400.14 g/mol.
Where can I buy [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone?
You can request a quote for [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(tert-butyl)phenyl][2-[(4-chlorobenzyl)sulfanyl]-5,6-dihydro-1(4H)-pyrimidinyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.