AF-399/42177195
TL;DR: AF-399/42177195 (CAS 622356-34-7) is a chemical compound with molecular formula C24H21NO4 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate
Also Known As: AF-399/42177195, 4'-cyano[1,1'-biphenyl]-4-yl 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate, [4-(4-cyanophenyl)phenyl] 1,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-4-carboxylate, [4-(4-cyanophenyl)phenyl] 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate, 4-(4-cyanophenyl)phenyl 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptanecarboxyl ate
| Molecular Formula | C24H21NO4 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 4.09518 |
| Topological Polar Surface Area | 84.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.14706 |
| Heavy Atoms | 29 |
| Complexity | 1075.3589 |
Chemical Identifiers
| CAS Number | 622356-34-7 |
|---|---|
| SMILES | CC1(C2(CCC1(C(=O)C2=O)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C)C |
Product Overview
AF-399/42177195 (CAS 622356-34-7), with molecular formula C24H21NO4 and molecular weight 387.15 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of AF-399/42177195
Property Insights of AF-399/42177195
The XLogP value of 4.09518 indicates that AF-399/42177195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42177195. Following Lipinski's Rule of Five, AF-399/42177195 has 0 hydrogen bond donor(s) and 5 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-399/42177195?
The CAS number of AF-399/42177195 is 622356-34-7.
What is the molecular formula of AF-399/42177195?
The molecular formula of AF-399/42177195 is C24H21NO4.
What is the molecular weight of AF-399/42177195?
The molecular weight of AF-399/42177195 is 387.15 g/mol.
Where can I buy AF-399/42177195?
You can request a quote for AF-399/42177195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42177195?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42177195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.