11L-648S
TL;DR: 11L-648S (CAS 303985-77-5) is a chemical compound with molecular formula C21H16Cl2N4S and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile
Also Known As: 11L-648S, 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile, 4-(allylamino)-2-[(2,6-dichlorobenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile, 4-(Allylamino)-2-((2,6-dichlorobenzyl)thio)-6-phenylpyrimidine-5-carbonitrile
| Molecular Formula | C21H16Cl2N4S |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 6.21228 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.04727 |
| Heavy Atoms | 28 |
| Complexity | 1012.31586 |
Chemical Identifiers
| CAS Number | 303985-77-5 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
11L-648S (CAS 303985-77-5), with molecular formula C21H16Cl2N4S and molecular weight 426.05 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile.
Chemical Property Profile of 11L-648S
Property Insights of 11L-648S
The XLogP value of 6.21228 indicates that 11L-648S 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 11L-648S. Following Lipinski's Rule of Five, 11L-648S 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 11L-648S?
The CAS number of 11L-648S is 303985-77-5.
What is the molecular formula of 11L-648S?
The molecular formula of 11L-648S is C21H16Cl2N4S.
What is the molecular weight of 11L-648S?
The molecular weight of 11L-648S is 426.05 g/mol.
Where can I buy 11L-648S?
You can request a quote for 11L-648S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-648S?
Yes, KEHONG BIO provides custom synthesis services for 11L-648S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.