AB01333886-02
TL;DR: AB01333886-02 (CAS 728028-76-0) is a chemical compound with molecular formula C21H16F3N5O and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dicyano-11,11-dimethyl-N-[3-(trifluoromethyl)phenyl]-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
Also Known As: AB01333886-02, AB01333886-03, A3864/0164143, 2,3-dicyano-9,9-dimethyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5,8-methanoquinoxaline-5(6H)-carboxamide, (5R,8S)-2,3-dicyano-9,9-dimethyl-N-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-5,8-methanoquinoxaline-5-carboxamide
| Molecular Formula | C21H16F3N5O |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 4.03246 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.1307 |
| Heavy Atoms | 30 |
| Complexity | 1158.6976 |
Chemical Identifiers
| CAS Number | 728028-76-0 |
|---|---|
| SMILES | CC1(C2CCC1(C3=NC(=C(N=C23)C#N)C#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C |
Product Overview
AB01333886-02 (CAS 728028-76-0), with molecular formula C21H16F3N5O and molecular weight 411.13 g/mol. IUPAC: 4,5-dicyano-11,11-dimethyl-N-[3-(trifluoromethyl)phenyl]-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide.
Chemical Property Profile of AB01333886-02
Property Insights of AB01333886-02
The XLogP value of 4.03246 indicates that AB01333886-02 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 AB01333886-02. Following Lipinski's Rule of Five, AB01333886-02 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 AB01333886-02?
The CAS number of AB01333886-02 is 728028-76-0.
What is the molecular formula of AB01333886-02?
The molecular formula of AB01333886-02 is C21H16F3N5O.
What is the molecular weight of AB01333886-02?
The molecular weight of AB01333886-02 is 411.13 g/mol.
Where can I buy AB01333886-02?
You can request a quote for AB01333886-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01333886-02?
Yes, KEHONG BIO provides custom synthesis services for AB01333886-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.