![4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile structure](/static/products/3039/303985-72-0.webp)
4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile
TL;DR: 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-72-0) is a chemical compound with molecular formula C21H17ClN4S and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile
Also Known As: Bionet1_002930, 4-(allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile, 11L-641S, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile
| Molecular Formula | C21H17ClN4S |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 5.55888 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.08624 |
| Heavy Atoms | 27 |
| Complexity | 983.2169 |
Chemical Identifiers
| CAS Number | 303985-72-0 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl |
Product Overview
4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-72-0), with molecular formula C21H17ClN4S and molecular weight 392.09 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile
Property Insights of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 5.55888 indicates that 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile 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-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile 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-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile is 303985-72-0.
What is the molecular formula of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile is C21H17ClN4S.
What is the molecular weight of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile is 392.09 g/mol.
Where can I buy 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-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 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allylamino)-2-[(2-chlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.