AF-399/42100401
TL;DR: AF-399/42100401 (CAS 433307-77-8) is a chemical compound with molecular formula C20H13Cl2N3O4 and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
Also Known As: AF-399/42100401, 2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one, 5-(3,4-dichlorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(2-pyrimidinyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(3,4-dichlorophenyl)-3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-1-pyrimidin-2 -yl-3-pyrrolin-2-one, 5-(3,4-dichlorophenyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-(pyrimidin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H13Cl2N3O4 |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 4.46772 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.02832 |
| Heavy Atoms | 29 |
| Complexity | 1157.5428 |
Chemical Identifiers
| CAS Number | 433307-77-8 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)Cl)Cl)C4=NC=CC=N4)O |
Product Overview
AF-399/42100401 (CAS 433307-77-8), with molecular formula C20H13Cl2N3O4 and molecular weight 429.03 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42100401
Property Insights of AF-399/42100401
The XLogP value of 4.46772 indicates that AF-399/42100401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100401. Following Lipinski's Rule of Five, AF-399/42100401 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-399/42100401?
The CAS number of AF-399/42100401 is 433307-77-8.
What is the molecular formula of AF-399/42100401?
The molecular formula of AF-399/42100401 is C20H13Cl2N3O4.
What is the molecular weight of AF-399/42100401?
The molecular weight of AF-399/42100401 is 429.03 g/mol.
Where can I buy AF-399/42100401?
You can request a quote for AF-399/42100401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100401?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.