AF-399/42176952
TL;DR: AF-399/42176952 (CAS 1005069-11-3) is a chemical compound with molecular formula C25H31N3O4 and molecular weight 437.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]-2-pyridinyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/42176952, N-(6-{[(3,3-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-2-pyridinyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide, N-[6-[(2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carbonyl)amino]pyridin-2-yl]-2,2-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxamide, (3,3-dimethyl-2-oxobicyclo[2.2.1]heptyl)-N-{6-[(3,3-dimethyl-2-oxobicyclo[2.2. 1]heptyl)carbonylamino](2-pyridyl)}carboxamide, N-[6-[(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]pyridin-2-yl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
| Molecular Formula | C25H31N3O4 |
|---|---|
| Molecular Weight | 437.23 g/mol |
| LogP | 3.7494 |
| Topological Polar Surface Area | 105.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.23145 |
| Heavy Atoms | 32 |
| Complexity | 981.77167 |
Chemical Identifiers
| CAS Number | 1005069-11-3 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C1=O)C(=O)NC3=NC(=CC=C3)NC(=O)C45CCC(C4)C(C5=O)(C)C)C |
Product Overview
AF-399/42176952 (CAS 1005069-11-3), with molecular formula C25H31N3O4 and molecular weight 437.23 g/mol. IUPAC: N-[6-[(3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]-2-pyridinyl]-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of AF-399/42176952
Property Insights of AF-399/42176952
The XLogP value of 3.7494 indicates that AF-399/42176952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42176952. Following Lipinski's Rule of Five, AF-399/42176952 has 2 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-399/42176952?
The CAS number of AF-399/42176952 is 1005069-11-3.
What is the molecular formula of AF-399/42176952?
The molecular formula of AF-399/42176952 is C25H31N3O4.
What is the molecular weight of AF-399/42176952?
The molecular weight of AF-399/42176952 is 437.23 g/mol.
Where can I buy AF-399/42176952?
You can request a quote for AF-399/42176952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42176952?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42176952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.