AF-399/41703535
TL;DR: AF-399/41703535 (CAS 955869-04-2) is a chemical compound with molecular formula C27H30N4O3 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AF-399/41703535, propan-2-yl 6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F1673-0487, propan-2-yl 6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate, isopropyl 4-(3-mesityl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C27H30N4O3 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 5.04406 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.23178 |
| Heavy Atoms | 34 |
| Complexity | 1265.4541 |
Chemical Identifiers
| CAS Number | 955869-04-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OC(C)C)C4=CC=CC=C4)C |
Product Overview
AF-399/41703535 (CAS 955869-04-2), with molecular formula C27H30N4O3 and molecular weight 458.23 g/mol. IUPAC: propan-2-yl 6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/41703535
Property Insights of AF-399/41703535
The XLogP value of 5.04406 indicates that AF-399/41703535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41703535. Following Lipinski's Rule of Five, AF-399/41703535 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41703535?
The CAS number of AF-399/41703535 is 955869-04-2.
What is the molecular formula of AF-399/41703535?
The molecular formula of AF-399/41703535 is C27H30N4O3.
What is the molecular weight of AF-399/41703535?
The molecular weight of AF-399/41703535 is 458.23 g/mol.
Where can I buy AF-399/41703535?
You can request a quote for AF-399/41703535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41703535?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41703535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.