AH-487/40672985
TL;DR: AH-487/40672985 (CAS 1072937-12-2) is a chemical compound with molecular formula C18H14FNO3S and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-1-(4-fluorophenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
Also Known As: AH-487/40672985, methyl 1-(4-fluorophenyl)-2-methyl-5-oxo-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-(4-fluorophenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-1-(4-fluorophenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate, METHYL (4Z)-1-(4-FLUOROPHENYL)-2-METHYL-5-OXO-4-[(THIOPHEN-2-YL)METHYLIDENE]-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C18H14FNO3S |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 3.7644 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06784 |
| Heavy Atoms | 24 |
| Complexity | 850.89886 |
Chemical Identifiers
| CAS Number | 1072937-12-2 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=CS2)/C(=O)N1C3=CC=C(C=C3)F)C(=O)OC |
Product Overview
AH-487/40672985 (CAS 1072937-12-2), with molecular formula C18H14FNO3S and molecular weight 343.07 g/mol. IUPAC: methyl (4Z)-1-(4-fluorophenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate.
Chemical Property Profile of AH-487/40672985
Property Insights of AH-487/40672985
The XLogP value of 3.7644 indicates that AH-487/40672985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AH-487/40672985 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/40672985 has 0 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-487/40672985?
The CAS number of AH-487/40672985 is 1072937-12-2.
What is the molecular formula of AH-487/40672985?
The molecular formula of AH-487/40672985 is C18H14FNO3S.
What is the molecular weight of AH-487/40672985?
The molecular weight of AH-487/40672985 is 343.07 g/mol.
Where can I buy AH-487/40672985?
You can request a quote for AH-487/40672985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/40672985?
Yes, KEHONG BIO provides custom synthesis services for AH-487/40672985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.