AF-399/42099996
TL;DR: AF-399/42099996 (CAS 615270-75-2) is a chemical compound with molecular formula C25H32N2O4S and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AF-399/42099996, 1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-[3-(diethylamino)propyl]-3-hydroxy-5-(4-propoxyphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 1-[3-(diethylazaniumyl)propyl]-5-oxo-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate, 1-(3-(diethylamino)propyl)-3-hydroxy-5-(4-propoxyphenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H32N2O4S |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 4.8471 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 456.20828 |
| Heavy Atoms | 32 |
| Complexity | 933.3613 |
Chemical Identifiers
| CAS Number | 615270-75-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)C3=CC=CS3 |
Product Overview
AF-399/42099996 (CAS 615270-75-2), with molecular formula C25H32N2O4S and molecular weight 456.21 g/mol. IUPAC: 1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42099996
Property Insights of AF-399/42099996
The XLogP value of 4.8471 indicates that AF-399/42099996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42099996. Following Lipinski's Rule of Five, AF-399/42099996 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-399/42099996?
The CAS number of AF-399/42099996 is 615270-75-2.
What is the molecular formula of AF-399/42099996?
The molecular formula of AF-399/42099996 is C25H32N2O4S.
What is the molecular weight of AF-399/42099996?
The molecular weight of AF-399/42099996 is 456.21 g/mol.
Where can I buy AF-399/42099996?
You can request a quote for AF-399/42099996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42099996?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42099996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.