AF-399/13278036
TL;DR: AF-399/13278036 (CAS 385398-27-6) is a chemical compound with molecular formula C16H19FN2O3 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AF-399/13278036, isopropyl 4-(3-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, propan-2-yl 6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19FN2O3 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.13797 |
| Heavy Atoms | 22 |
| Complexity | 640.033 |
Chemical Identifiers
| CAS Number | 385398-27-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)F)C(=O)OC(C)C |
Product Overview
AF-399/13278036 (CAS 385398-27-6), with molecular formula C16H19FN2O3 and molecular weight 306.14 g/mol. IUPAC: propan-2-yl 6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AF-399/13278036
Property Insights of AF-399/13278036
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13278036. With a topological polar surface area (TPSA) of 58.64 Ų, AF-399/13278036 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13278036 has 1 hydrogen bond donor(s) and 3 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-399/13278036?
The CAS number of AF-399/13278036 is 385398-27-6.
What is the molecular formula of AF-399/13278036?
The molecular formula of AF-399/13278036 is C16H19FN2O3.
What is the molecular weight of AF-399/13278036?
The molecular weight of AF-399/13278036 is 306.14 g/mol.
Where can I buy AF-399/13278036?
You can request a quote for AF-399/13278036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13278036?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13278036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.