Cambridge id 5691247
TL;DR: Cambridge id 5691247 (CAS 5691-24-7) is a chemical compound with molecular formula C21H17ClN2O2S2 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile
Also Known As: AB00093699-01, 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile, 5-Acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C21H17ClN2O2S2 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 5.30258 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.042 |
| Heavy Atoms | 28 |
| Complexity | 1015.67505 |
Chemical Identifiers
| CAS Number | 5691-24-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)C3=CC=CS3)C(=O)C |
Product Overview
Cambridge id 5691247 (CAS 5691-24-7), with molecular formula C21H17ClN2O2S2 and molecular weight 428.04 g/mol. IUPAC: 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of Cambridge id 5691247
Property Insights of Cambridge id 5691247
The XLogP value of 5.30258 indicates that Cambridge id 5691247 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 5691247. Following Lipinski's Rule of Five, Cambridge id 5691247 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 5691247?
The CAS number of Cambridge id 5691247 is 5691-24-7.
What is the molecular formula of Cambridge id 5691247?
The molecular formula of Cambridge id 5691247 is C21H17ClN2O2S2.
What is the molecular weight of Cambridge id 5691247?
The molecular weight of Cambridge id 5691247 is 428.04 g/mol.
Where can I buy Cambridge id 5691247?
You can request a quote for Cambridge id 5691247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5691247?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5691247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.