2E-110S
TL;DR: 2E-110S (CAS 338395-37-2) is a chemical compound with molecular formula C25H18ClN3OS and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile
Also Known As: 2E-110S, 4-[(4-chlorobenzyl)sulfanyl]-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile, 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile, 4-{[(4-chlorophenyl)methyl]sulfanyl}-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile, 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile
| Molecular Formula | C25H18ClN3OS |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 6.63658 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0859 |
| Heavy Atoms | 31 |
| Complexity | 1220.847 |
Chemical Identifiers
| CAS Number | 338395-37-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl)C#N |
Product Overview
2E-110S (CAS 338395-37-2), with molecular formula C25H18ClN3OS and molecular weight 443.09 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2E-110S
Property Insights of 2E-110S
The XLogP value of 6.63658 indicates that 2E-110S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 2E-110S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2E-110S 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 2E-110S?
The CAS number of 2E-110S is 338395-37-2.
What is the molecular formula of 2E-110S?
The molecular formula of 2E-110S is C25H18ClN3OS.
What is the molecular weight of 2E-110S?
The molecular weight of 2E-110S is 443.09 g/mol.
Where can I buy 2E-110S?
You can request a quote for 2E-110S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2E-110S?
Yes, KEHONG BIO provides custom synthesis services for 2E-110S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.