AF-399/41899139
TL;DR: AF-399/41899139 (CAS 609794-16-3) is a chemical compound with molecular formula C26H31BrN2O4 and molecular weight 514.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: AF-399/41899139, (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione, 5-(4-bromophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one, 5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-isopropoxy-2-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H31BrN2O4 |
|---|---|
| Molecular Weight | 514.15 g/mol |
| LogP | 4.91812 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1467 |
| Heavy Atoms | 33 |
| Complexity | 1060.4617 |
Chemical Identifiers
| CAS Number | 609794-16-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)Br)/O |
Product Overview
AF-399/41899139 (CAS 609794-16-3), with molecular formula C26H31BrN2O4 and molecular weight 514.15 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/41899139
Property Insights of AF-399/41899139
The XLogP value of 4.91812 indicates that AF-399/41899139 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-399/41899139. Following Lipinski's Rule of Five, AF-399/41899139 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41899139?
The CAS number of AF-399/41899139 is 609794-16-3.
What is the molecular formula of AF-399/41899139?
The molecular formula of AF-399/41899139 is C26H31BrN2O4.
What is the molecular weight of AF-399/41899139?
The molecular weight of AF-399/41899139 is 514.15 g/mol.
Where can I buy AF-399/41899139?
You can request a quote for AF-399/41899139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41899139?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41899139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.