AF-399/42398939
TL;DR: AF-399/42398939 (CAS 627071-50-5) is a chemical compound with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: AF-399/42398939, 2-[5-(2-chlorophenyl)furan-2-yl]-1-(4-methoxyphenyl)-4-oxo-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-[5-(2-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, F1711-0122, 2-(5-(2-chlorophenyl)furan-2-yl)-6-mercapto-1-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C22H16ClN3O3S |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 4.90858 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0601 |
| Heavy Atoms | 30 |
| Complexity | 1180.8385 |
Chemical Identifiers
| CAS Number | 627071-50-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4Cl |
Product Overview
AF-399/42398939 (CAS 627071-50-5), with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol. IUPAC: 2-[5-(2-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of AF-399/42398939
Property Insights of AF-399/42398939
The XLogP value of 4.90858 indicates that AF-399/42398939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42398939. Following Lipinski's Rule of Five, AF-399/42398939 has 2 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-399/42398939?
The CAS number of AF-399/42398939 is 627071-50-5.
What is the molecular formula of AF-399/42398939?
The molecular formula of AF-399/42398939 is C22H16ClN3O3S.
What is the molecular weight of AF-399/42398939?
The molecular weight of AF-399/42398939 is 437.06 g/mol.
Where can I buy AF-399/42398939?
You can request a quote for AF-399/42398939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42398939?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42398939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.