AH-487/41663556
TL;DR: AH-487/41663556 (CAS 664359-89-1) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
Also Known As: AH-487/41663556, 3-(2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid, (E)-3-(2-((3-allyl-2,4-dioxothiazolidin-5-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid, 3-{2-[(3-allyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid, 3-[2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.3978 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 913.3048 |
Chemical Identifiers
| CAS Number | 664359-89-1 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/SC1=O |
Product Overview
AH-487/41663556 (CAS 664359-89-1), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: 3-[2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of AH-487/41663556
Property Insights of AH-487/41663556
The XLogP value of 3.3978 indicates that AH-487/41663556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/41663556. Following Lipinski's Rule of Five, AH-487/41663556 has 1 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-487/41663556?
The CAS number of AH-487/41663556 is 664359-89-1.
What is the molecular formula of AH-487/41663556?
The molecular formula of AH-487/41663556 is C18H14N2O4S.
What is the molecular weight of AH-487/41663556?
The molecular weight of AH-487/41663556 is 354.07 g/mol.
Where can I buy AH-487/41663556?
You can request a quote for AH-487/41663556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41663556?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41663556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.