2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
TL;DR: 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile (CAS 303985-66-2) is a chemical compound with molecular formula C23H24N4S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(diethylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile
Also Known As: Bionet1_002926, 2-(benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile, 11L-635S, 2-(benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile, 2-benzylsulfanyl-4-(diethylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile
| Molecular Formula | C23H24N4S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 5.4622 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.17218 |
| Heavy Atoms | 28 |
| Complexity | 958.38763 |
Chemical Identifiers
| CAS Number | 303985-66-2 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=C(C=C2)C)SCC3=CC=CC=C3 |
Product Overview
2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile (CAS 303985-66-2), with molecular formula C23H24N4S and molecular weight 388.17 g/mol. IUPAC: 2-benzylsulfanyl-4-(diethylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
Property Insights of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
The XLogP value of 5.4622 indicates that 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-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-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-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-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The CAS number of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is 303985-66-2.
What is the molecular formula of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The molecular formula of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is C23H24N4S.
What is the molecular weight of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
The molecular weight of 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile is 388.17 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
You can request a quote for 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-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-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-(diethylamino)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.