A0440/0020352
TL;DR: A0440/0020352 (CAS 339187-39-2) is a chemical compound with molecular formula C26H20N4O3S2 and molecular weight 500.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
Also Known As: A0440/0020352, ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6-(thiophen-2-yl)pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-ylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-thien-2-ylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
| Molecular Formula | C26H20N4O3S2 |
|---|---|
| Molecular Weight | 500.10 g/mol |
| LogP | 5.09896 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.0977 |
| Heavy Atoms | 35 |
| Complexity | 1384.1952 |
Chemical Identifiers
| CAS Number | 339187-39-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N |
Product Overview
A0440/0020352 (CAS 339187-39-2), with molecular formula C26H20N4O3S2 and molecular weight 500.10 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of A0440/0020352
Property Insights of A0440/0020352
The XLogP value of 5.09896 indicates that A0440/0020352 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 A0440/0020352. Following Lipinski's Rule of Five, A0440/0020352 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 A0440/0020352?
The CAS number of A0440/0020352 is 339187-39-2.
What is the molecular formula of A0440/0020352?
The molecular formula of A0440/0020352 is C26H20N4O3S2.
What is the molecular weight of A0440/0020352?
The molecular weight of A0440/0020352 is 500.10 g/mol.
Where can I buy A0440/0020352?
You can request a quote for A0440/0020352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0440/0020352?
Yes, KEHONG BIO provides custom synthesis services for A0440/0020352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.