AF-399/42100644
TL;DR: AF-399/42100644 (CAS 615274-87-8) is a chemical compound with molecular formula C23H17BrN2O4S and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: AF-399/42100644, 4-[4-(allyloxy)benzoyl]-5-(3-bromophenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione, 4-(4-(allyloxy)benzoyl)-5-(3-bromophenyl)-3-hydroxy-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-5-(3-bromophenyl)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C23H17BrN2O4S |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 5.0967 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.00925 |
| Heavy Atoms | 31 |
| Complexity | 1172.5519 |
Chemical Identifiers
| CAS Number | 615274-87-8 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CS3)C4=CC(=CC=C4)Br)/O |
Product Overview
AF-399/42100644 (CAS 615274-87-8), with molecular formula C23H17BrN2O4S and molecular weight 496.01 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AF-399/42100644
Property Insights of AF-399/42100644
The XLogP value of 5.0967 indicates that AF-399/42100644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100644. Following Lipinski's Rule of Five, AF-399/42100644 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42100644?
The CAS number of AF-399/42100644 is 615274-87-8.
What is the molecular formula of AF-399/42100644?
The molecular formula of AF-399/42100644 is C23H17BrN2O4S.
What is the molecular weight of AF-399/42100644?
The molecular weight of AF-399/42100644 is 496.01 g/mol.
Where can I buy AF-399/42100644?
You can request a quote for AF-399/42100644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100644?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.