![2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile structure](/static/products/3039/303985-73-1.webp)
2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile
TL;DR: 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-73-1) is a chemical compound with molecular formula C22H21ClN4S and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenylpyrimidine-5-carbonitrile
Also Known As: 11L-644S, 2-[(2-chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenylpyrimidine-5-carbonitrile, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(diethylamino)-6-phenylpyrimidine-5-carbonitrile
| Molecular Formula | C22H21ClN4S |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 5.80718 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11755 |
| Heavy Atoms | 28 |
| Complexity | 981.5721 |
Chemical Identifiers
| CAS Number | 303985-73-1 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl |
Product Overview
2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-73-1), with molecular formula C22H21ClN4S and molecular weight 408.12 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile
Property Insights of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 5.80718 indicates that 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.81 Ų, 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile has 0 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-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile is 303985-73-1.
What is the molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile is C22H21ClN4S.
What is the molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile is 408.12 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)sulfanyl]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.