1E-169S
TL;DR: 1E-169S (CAS 320418-49-3) is a chemical compound with molecular formula C23H13Cl2N3S and molecular weight 433.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carbonitrile
Also Known As: 1E-169S, 4-(4-chlorophenyl)-6-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarbonitrile, 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carbonitrile, 4-(4-chlorophenyl)-6-[(4-chlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carbonitrile, 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carbonitrile
| Molecular Formula | C23H13Cl2N3S |
|---|---|
| Molecular Weight | 433.02 g/mol |
| LogP | 7.14028 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.02072 |
| Heavy Atoms | 29 |
| Complexity | 1185.9734 |
Chemical Identifiers
| CAS Number | 320418-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=N2)SC3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)Cl |
Product Overview
1E-169S (CAS 320418-49-3), with molecular formula C23H13Cl2N3S and molecular weight 433.02 g/mol. IUPAC: 4-(4-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 1E-169S
Property Insights of 1E-169S
The XLogP value of 7.14028 indicates that 1E-169S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 1E-169S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1E-169S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1E-169S?
The CAS number of 1E-169S is 320418-49-3.
What is the molecular formula of 1E-169S?
The molecular formula of 1E-169S is C23H13Cl2N3S.
What is the molecular weight of 1E-169S?
The molecular weight of 1E-169S is 433.02 g/mol.
Where can I buy 1E-169S?
You can request a quote for 1E-169S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-169S?
Yes, KEHONG BIO provides custom synthesis services for 1E-169S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.