AN-648/41666232
TL;DR: AN-648/41666232 (CAS 593272-85-6) is a chemical compound with molecular formula C24H22N4O4S and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2,4-dimethoxyphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-648/41666232, (5E)-1-(2,4-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(2,4-dimethoxyphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(2,4-dimethoxyphenyl)-5-((2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(2,4-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C24H22N4O4S |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 3.33764 |
| Topological Polar Surface Area | 85.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.13617 |
| Heavy Atoms | 33 |
| Complexity | 1297.2931 |
Chemical Identifiers
| CAS Number | 593272-85-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC |
Product Overview
AN-648/41666232 (CAS 593272-85-6), with molecular formula C24H22N4O4S and molecular weight 462.14 g/mol. IUPAC: (5E)-1-(2,4-dimethoxyphenyl)-5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-648/41666232
Property Insights of AN-648/41666232
The XLogP value of 3.33764 indicates that AN-648/41666232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41666232. Following Lipinski's Rule of Five, AN-648/41666232 has 1 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-648/41666232?
The CAS number of AN-648/41666232 is 593272-85-6.
What is the molecular formula of AN-648/41666232?
The molecular formula of AN-648/41666232 is C24H22N4O4S.
What is the molecular weight of AN-648/41666232?
The molecular weight of AN-648/41666232 is 462.14 g/mol.
Where can I buy AN-648/41666232?
You can request a quote for AN-648/41666232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41666232?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41666232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.