A3864/0164141
TL;DR: A3864/0164141 (CAS 728028-75-9) is a chemical compound with molecular formula C21H17F2N5O and molecular weight 393.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dicyano-N-(2,5-difluorophenyl)-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
Also Known As: A3864/0164141, 2,3-dicyano-N-(2,5-difluorophenyl)-8,9,9-trimethyl-7,8-dihydro-5,8-methanoquinoxaline-5(6H)-carboxamide, (5R,8S)-2,3-dicyano-N-(2,5-difluorophenyl)-8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline-5-carboxamide, 4,5-dicyano-N-(2,5-difluorophenyl)-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.0~2,7~]undeca-2,4,6-triene-1-carboxamide
| Molecular Formula | C21H17F2N5O |
|---|---|
| Molecular Weight | 393.14 g/mol |
| LogP | 3.46596 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1401 |
| Heavy Atoms | 29 |
| Complexity | 1162.8822 |
Chemical Identifiers
| CAS Number | 728028-75-9 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC(=C(N=C32)C#N)C#N)C(=O)NC4=C(C=CC(=C4)F)F)C)C |
Product Overview
A3864/0164141 (CAS 728028-75-9), with molecular formula C21H17F2N5O and molecular weight 393.14 g/mol. IUPAC: 4,5-dicyano-N-(2,5-difluorophenyl)-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide.
Chemical Property Profile of A3864/0164141
Property Insights of A3864/0164141
The XLogP value of 3.46596 indicates that A3864/0164141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.46 Ų falls within the moderate polarity range, balancing permeability and solubility for A3864/0164141. Following Lipinski's Rule of Five, A3864/0164141 has 1 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 A3864/0164141?
The CAS number of A3864/0164141 is 728028-75-9.
What is the molecular formula of A3864/0164141?
The molecular formula of A3864/0164141 is C21H17F2N5O.
What is the molecular weight of A3864/0164141?
The molecular weight of A3864/0164141 is 393.14 g/mol.
Where can I buy A3864/0164141?
You can request a quote for A3864/0164141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3864/0164141?
Yes, KEHONG BIO provides custom synthesis services for A3864/0164141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.