AF-399/41585716
TL;DR: AF-399/41585716 (CAS 613658-87-0) is a chemical compound with molecular formula C16H17Cl2NO3 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/41585716, N-(2,5-dichlorophenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, N-(2,5-dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-(2,5-dichlorophenyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxa mide
| Molecular Formula | C16H17Cl2NO3 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 4.0538 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.05856 |
| Heavy Atoms | 22 |
| Complexity | 687.9685 |
Chemical Identifiers
| CAS Number | 613658-87-0 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C)C |
Product Overview
AF-399/41585716 (CAS 613658-87-0), with molecular formula C16H17Cl2NO3 and molecular weight 341.06 g/mol. IUPAC: N-(2,5-dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of AF-399/41585716
Property Insights of AF-399/41585716
The XLogP value of 4.0538 indicates that AF-399/41585716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AF-399/41585716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41585716 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-399/41585716?
The CAS number of AF-399/41585716 is 613658-87-0.
What is the molecular formula of AF-399/41585716?
The molecular formula of AF-399/41585716 is C16H17Cl2NO3.
What is the molecular weight of AF-399/41585716?
The molecular weight of AF-399/41585716 is 341.06 g/mol.
Where can I buy AF-399/41585716?
You can request a quote for AF-399/41585716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41585716?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41585716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.