A3864/0164140
TL;DR: A3864/0164140 (CAS 728028-74-8) is a chemical compound with molecular formula C21H18FN5O and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dicyano-N-(2-fluorophenyl)-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
Also Known As: A3864/0164140, (5R,8S)-2,3-dicyano-N-(2-fluorophenyl)-8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline-5-carboxamide, 2,3-dicyano-N-(2-fluorophenyl)-8,9,9-trimethyl-7,8-dihydro-5,8-methanoquinoxaline-5(6H)-carboxamide, 4,5-DICYANO-N~1~-(2-FLUOROPHENYL)-8,11,11-TRIMETHYL-3,6-DIAZATRICYCLO[6.2.1.0~2,7~]UNDECA-2(7),3,5-TRIENE-1-CARBOXAMIDE
| Molecular Formula | C21H18FN5O |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 3.32686 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.14954 |
| Heavy Atoms | 28 |
| Complexity | 1112.7546 |
Chemical Identifiers
| CAS Number | 728028-74-8 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC(=C(N=C32)C#N)C#N)C(=O)NC4=CC=CC=C4F)C)C |
Product Overview
A3864/0164140 (CAS 728028-74-8), with molecular formula C21H18FN5O and molecular weight 375.15 g/mol. IUPAC: 4,5-dicyano-N-(2-fluorophenyl)-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide.
Chemical Property Profile of A3864/0164140
Property Insights of A3864/0164140
The XLogP value of 3.32686 indicates that A3864/0164140 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 A3864/0164140. Following Lipinski's Rule of Five, A3864/0164140 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 A3864/0164140?
The CAS number of A3864/0164140 is 728028-74-8.
What is the molecular formula of A3864/0164140?
The molecular formula of A3864/0164140 is C21H18FN5O.
What is the molecular weight of A3864/0164140?
The molecular weight of A3864/0164140 is 375.15 g/mol.
Where can I buy A3864/0164140?
You can request a quote for A3864/0164140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3864/0164140?
Yes, KEHONG BIO provides custom synthesis services for A3864/0164140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.