AH-487/41139712
TL;DR: AH-487/41139712 (CAS 444779-54-8) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AH-487/41139712, (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[3-methoxy-2-(propan-2-yloxy)benzylidene]-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-(2-isopropoxy-3-methoxybenzylidene)-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 3.62212 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 1013.6219 |
Chemical Identifiers
| CAS Number | 444779-54-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC(C)C)/C(=O)NC2=S |
Product Overview
AH-487/41139712 (CAS 444779-54-8), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: (5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AH-487/41139712
Property Insights of AH-487/41139712
The XLogP value of 3.62212 indicates that AH-487/41139712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/41139712. Following Lipinski's Rule of Five, AH-487/41139712 has 1 hydrogen bond donor(s) and 5 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 AH-487/41139712?
The CAS number of AH-487/41139712 is 444779-54-8.
What is the molecular formula of AH-487/41139712?
The molecular formula of AH-487/41139712 is C22H22N2O4S.
What is the molecular weight of AH-487/41139712?
The molecular weight of AH-487/41139712 is 410.13 g/mol.
Where can I buy AH-487/41139712?
You can request a quote for AH-487/41139712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41139712?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41139712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.