ChemDiv1_010723
TL;DR: ChemDiv1_010723 (CAS 339583-31-2) is a chemical compound with molecular formula C26H19ClN4O3S2 and molecular weight 534.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010723, A0564/0026067, ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-6-(thiophen-2-yl)pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate, ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
| Molecular Formula | C26H19ClN4O3S2 |
|---|---|
| Molecular Weight | 534.06 g/mol |
| LogP | 5.75236 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.0587 |
| Heavy Atoms | 36 |
| Complexity | 1435.3076 |
Chemical Identifiers
| CAS Number | 339583-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N |
Product Overview
ChemDiv1_010723 (CAS 339583-31-2), with molecular formula C26H19ClN4O3S2 and molecular weight 534.06 g/mol. IUPAC: ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010723
Property Insights of ChemDiv1_010723
The XLogP value of 5.75236 indicates that ChemDiv1_010723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010723. Following Lipinski's Rule of Five, ChemDiv1_010723 has 1 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_010723?
The CAS number of ChemDiv1_010723 is 339583-31-2.
What is the molecular formula of ChemDiv1_010723?
The molecular formula of ChemDiv1_010723 is C26H19ClN4O3S2.
What is the molecular weight of ChemDiv1_010723?
The molecular weight of ChemDiv1_010723 is 534.06 g/mol.
Where can I buy ChemDiv1_010723?
You can request a quote for ChemDiv1_010723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010723?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.