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2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile
TL;DR: 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-75-3) is a chemical compound with molecular formula C22H19ClN4OS and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile
Also Known As: 11L-646S, 2-[(2-chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(morpholin-4-yl)-6-phenylpyrimidine-5-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-morpholin-4-yl-6-phenyl-pyrimidine-5-carbonitrile
| Molecular Formula | C22H19ClN4OS |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 4.79758 |
| Topological Polar Surface Area | 62.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.0968 |
| Heavy Atoms | 29 |
| Complexity | 1032.7274 |
Chemical Identifiers
| CAS Number | 303985-75-3 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC=CC=C4Cl |
Product Overview
2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile (CAS 303985-75-3), with molecular formula C22H19ClN4OS and molecular weight 422.10 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile
Property Insights of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 4.79758 indicates that 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile is 303985-75-3.
What is the molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile is C22H19ClN4OS.
What is the molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile is 422.10 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-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-morpholino-6-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)sulfanyl]-4-morpholino-6-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.