4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile
TL;DR: 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile (CAS 303985-64-0) is a chemical compound with molecular formula C26H22N4S and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile
Also Known As: 11L-633S, 4-(benzylamino)-2-(benzylsulfanyl)-6-(4-methylphenyl)-5-pyrimidinecarbonitrile, 4-(benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile, 4-(benzylamino)-2-(benzylsulfanyl)-6-(4-methylphenyl)pyrimidine-5-carbonitrile
| Molecular Formula | C26H22N4S |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 6.2281 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.15652 |
| Heavy Atoms | 31 |
| Complexity | 1184.0122 |
Chemical Identifiers
| CAS Number | 303985-64-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)NCC4=CC=CC=C4)C#N |
Product Overview
4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile (CAS 303985-64-0), with molecular formula C26H22N4S and molecular weight 422.16 g/mol. IUPAC: 4-(benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile
Property Insights of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile
The XLogP value of 6.2281 indicates that 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile has 1 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 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile?
The CAS number of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile is 303985-64-0.
What is the molecular formula of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile?
The molecular formula of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile is C26H22N4S.
What is the molecular weight of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile?
The molecular weight of 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile is 422.16 g/mol.
Where can I buy 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile?
You can request a quote for 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylamino)-2-benzylsulfanyl-6-(4-methylphenyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.