AF-399/40992096
TL;DR: AF-399/40992096 (CAS 381206-54-8) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
Also Known As: AF-399/40992096, 1-(2-Dimethylamino-ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5-thiophen-2-yl-1,5-dihydro-pyrrol-2-one, 1-(2-dimethylaminoethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5-thiophen-2-yl-5H-pyrrol-2-one, 1-(2-dimethylaminoethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one, 1-[2-(Dimethylamino)ethyl]-3-hydroxy-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 381206-54-8 |
|---|---|
| SMILES | CN(C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CS3 |
| InChIKey | XTSCXTSFECSFGQ-UHFFFAOYSA-N |
Product Overview
AF-399/40992096 (CAS 381206-54-8), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/40992096
Property Insights of AF-399/40992096
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40992096. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40992096. Following Lipinski's Rule of Five, AF-399/40992096 has 1 hydrogen bond donor(s) and 6 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 AF-399/40992096?
The CAS number of AF-399/40992096 is 381206-54-8.
What is the molecular formula of AF-399/40992096?
The molecular formula of AF-399/40992096 is C17H18N2O3S2.
What is the molecular weight of AF-399/40992096?
The molecular weight of AF-399/40992096 is 362.08 g/mol.
Where can I buy AF-399/40992096?
You can request a quote for AF-399/40992096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40992096?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40992096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.