ChemDiv1_028740
TL;DR: ChemDiv1_028740 (CAS 370854-91-4) is a chemical compound with molecular formula C25H24ClN3O5S2 and molecular weight 545.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_028740, AE-848/40938207, prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, allyl 6-((2-((4-chloro-2,5-dimethoxyphenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
| Molecular Formula | C25H24ClN3O5S2 |
|---|---|
| Molecular Weight | 545.08 g/mol |
| LogP | 5.21578 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.0846 |
| Heavy Atoms | 36 |
| Complexity | 1265.2225 |
Chemical Identifiers
| CAS Number | 370854-91-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)C#N)C3=CC=CS3)C(=O)OCC=C |
Product Overview
ChemDiv1_028740 (CAS 370854-91-4), with molecular formula C25H24ClN3O5S2 and molecular weight 545.08 g/mol. IUPAC: prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028740
Property Insights of ChemDiv1_028740
The XLogP value of 5.21578 indicates that ChemDiv1_028740 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028740. Following Lipinski's Rule of Five, ChemDiv1_028740 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028740?
The CAS number of ChemDiv1_028740 is 370854-91-4.
What is the molecular formula of ChemDiv1_028740?
The molecular formula of ChemDiv1_028740 is C25H24ClN3O5S2.
What is the molecular weight of ChemDiv1_028740?
The molecular weight of ChemDiv1_028740 is 545.08 g/mol.
Where can I buy ChemDiv1_028740?
You can request a quote for ChemDiv1_028740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028740?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.