AH-487/41078163
TL;DR: AH-487/41078163 (CAS 444777-83-7) is a chemical compound with molecular formula C14H11ClFNO3 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: AH-487/41078163, methyl (4E)-4-(2-chloro-6-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (E)-methyl 4-(2-chloro-6-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl 4-(2-chloro-6-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C14H11ClFNO3 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 2.4393 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.04114 |
| Heavy Atoms | 20 |
| Complexity | 644.13293 |
Chemical Identifiers
| CAS Number | 444777-83-7 |
|---|---|
| SMILES | CC1=C(/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)N1)C(=O)OC |
Product Overview
AH-487/41078163 (CAS 444777-83-7), with molecular formula C14H11ClFNO3 and molecular weight 295.04 g/mol. IUPAC: methyl (4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of AH-487/41078163
Property Insights of AH-487/41078163
The XLogP value of 2.4393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/41078163. With a topological polar surface area (TPSA) of 55.4 Ų, AH-487/41078163 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/41078163 has 1 hydrogen bond donor(s) and 3 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-487/41078163?
The CAS number of AH-487/41078163 is 444777-83-7.
What is the molecular formula of AH-487/41078163?
The molecular formula of AH-487/41078163 is C14H11ClFNO3.
What is the molecular weight of AH-487/41078163?
The molecular weight of AH-487/41078163 is 295.04 g/mol.
Where can I buy AH-487/41078163?
You can request a quote for AH-487/41078163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41078163?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41078163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.