AF-399/42176791
TL;DR: AF-399/42176791 (CAS 579441-81-9) is a chemical compound with molecular formula C23H22ClN3O and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
Also Known As: AF-399/42176791, N-(2-Chlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide, N-(2-chlorophenyl)-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide, (1R,4S)-N-(2-chlorophenyl)-4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide, N-(2-chlorophenyl)(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0<2,11>.0<4, 9>]pentadeca-2(11),3,5,7,9-pentaenyl)carboxamide
| Molecular Formula | C23H22ClN3O |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 5.251 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.14514 |
| Heavy Atoms | 28 |
| Complexity | 1141.6505 |
Chemical Identifiers
| CAS Number | 579441-81-9 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=CC=CC=C5Cl)C)C |
Product Overview
AF-399/42176791 (CAS 579441-81-9), with molecular formula C23H22ClN3O and molecular weight 391.15 g/mol. IUPAC: N-(2-chlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
Chemical Property Profile of AF-399/42176791
Property Insights of AF-399/42176791
The XLogP value of 5.251 indicates that AF-399/42176791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AF-399/42176791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/42176791 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42176791?
The CAS number of AF-399/42176791 is 579441-81-9.
What is the molecular formula of AF-399/42176791?
The molecular formula of AF-399/42176791 is C23H22ClN3O.
What is the molecular weight of AF-399/42176791?
The molecular weight of AF-399/42176791 is 391.15 g/mol.
Where can I buy AF-399/42176791?
You can request a quote for AF-399/42176791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42176791?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42176791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.