Cambridge id 5691189
TL;DR: Cambridge id 5691189 (CAS 5691-18-9) is a chemical compound with molecular formula C22H19ClN2O2S2 and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile, 5-Acetyl-2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile, Cambridge id 5691189
| Molecular Formula | C22H19ClN2O2S2 |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | 5.611 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.05765 |
| Heavy Atoms | 29 |
| Complexity | 1092.227 |
Chemical Identifiers
| CAS Number | 5691-18-9 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC(=CC=C3)Cl)C#N |
Product Overview
Cambridge id 5691189 (CAS 5691-18-9), with molecular formula C22H19ClN2O2S2 and molecular weight 442.06 g/mol. IUPAC: 5-acetyl-2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-methylthiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of Cambridge id 5691189
Property Insights of Cambridge id 5691189
The XLogP value of 5.611 indicates that Cambridge id 5691189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5691189. Following Lipinski's Rule of Five, Cambridge id 5691189 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cambridge id 5691189?
The CAS number of Cambridge id 5691189 is 5691-18-9.
What is the molecular formula of Cambridge id 5691189?
The molecular formula of Cambridge id 5691189 is C22H19ClN2O2S2.
What is the molecular weight of Cambridge id 5691189?
The molecular weight of Cambridge id 5691189 is 442.06 g/mol.
Where can I buy Cambridge id 5691189?
You can request a quote for Cambridge id 5691189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5691189?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5691189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.