AF-399/41502941
TL;DR: AF-399/41502941 (CAS 442567-02-4) is a chemical compound with molecular formula C26H29N5O5S and molecular weight 523.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AF-399/41502941, propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, isopropyl 4-(3-(4-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, isopropyl 4-(3-{4-[(dimethylamino)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, propan-2-yl 4-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C26H29N5O5S |
|---|---|
| Molecular Weight | 523.19 g/mol |
| LogP | 3.3691 |
| Topological Polar Surface Area | 122.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.18896 |
| Heavy Atoms | 37 |
| Complexity | 1458.7261 |
Chemical Identifiers
| CAS Number | 442567-02-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N(C)C)C4=CC=CC=C4)C(=O)OC(C)C |
Product Overview
AF-399/41502941 (CAS 442567-02-4), with molecular formula C26H29N5O5S and molecular weight 523.19 g/mol. IUPAC: propan-2-yl 4-[3-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/41502941
Property Insights of AF-399/41502941
The XLogP value of 3.3691 indicates that AF-399/41502941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41502941. Following Lipinski's Rule of Five, AF-399/41502941 has 2 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-399/41502941?
The CAS number of AF-399/41502941 is 442567-02-4.
What is the molecular formula of AF-399/41502941?
The molecular formula of AF-399/41502941 is C26H29N5O5S.
What is the molecular weight of AF-399/41502941?
The molecular weight of AF-399/41502941 is 523.19 g/mol.
Where can I buy AF-399/41502941?
You can request a quote for AF-399/41502941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41502941?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41502941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.