AH-487/42145031
TL;DR: AH-487/42145031 (CAS 5550-33-4) is a chemical compound with molecular formula C21H13ClN2O5 and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: AH-487/42145031, 1H-Pyrrolo[1,2-c]imidazole-1,3,5(2H,6H)-trione,dihydro-7a-methyl-, 4-[5-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid, 4-(5-{[1-(4-Chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
| Molecular Formula | C21H13ClN2O5 |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 4.3955 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0513 |
| Heavy Atoms | 29 |
| Complexity | 1146.5743 |
Chemical Identifiers
| CAS Number | 5550-33-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)O |
Product Overview
AH-487/42145031 (CAS 5550-33-4), with molecular formula C21H13ClN2O5 and molecular weight 408.05 g/mol. IUPAC: 4-[5-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AH-487/42145031
Property Insights of AH-487/42145031
The XLogP value of 4.3955 indicates that AH-487/42145031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/42145031. Following Lipinski's Rule of Five, AH-487/42145031 has 2 hydrogen bond donor(s) and 4 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-487/42145031?
The CAS number of AH-487/42145031 is 5550-33-4.
What is the molecular formula of AH-487/42145031?
The molecular formula of AH-487/42145031 is C21H13ClN2O5.
What is the molecular weight of AH-487/42145031?
The molecular weight of AH-487/42145031 is 408.05 g/mol.
Where can I buy AH-487/42145031?
You can request a quote for AH-487/42145031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/42145031?
Yes, KEHONG BIO provides custom synthesis services for AH-487/42145031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.