AN-648/41441030
TL;DR: AN-648/41441030 (CAS 1164515-42-7) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: AN-648/41441030, ethyl [(5E)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, ethyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-ethyl 2-(5-((2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, ethyl (5-{[2,5-dimethyl-1-(2-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 3.08854 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 933.93146 |
Chemical Identifiers
| CAS Number | 1164515-42-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC=N3)C)/SC1=O |
Product Overview
AN-648/41441030 (CAS 1164515-42-7), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: ethyl 2-[(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of AN-648/41441030
Property Insights of AN-648/41441030
The XLogP value of 3.08854 indicates that AN-648/41441030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41441030. Following Lipinski's Rule of Five, AN-648/41441030 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-648/41441030?
The CAS number of AN-648/41441030 is 1164515-42-7.
What is the molecular formula of AN-648/41441030?
The molecular formula of AN-648/41441030 is C19H19N3O4S.
What is the molecular weight of AN-648/41441030?
The molecular weight of AN-648/41441030 is 385.11 g/mol.
Where can I buy AN-648/41441030?
You can request a quote for AN-648/41441030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41441030?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41441030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.