AN-465/41992744
TL;DR: AN-465/41992744 (CAS 379729-66-5) is a chemical compound with molecular formula C16H14F3N5O3 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-465/41992744, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-[2-(trifluoromethyl)phenyl]acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C16H14F3N5O3 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 1.0912 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.1049 |
| Heavy Atoms | 27 |
| Complexity | 1156.788 |
Chemical Identifiers
| CAS Number | 379729-66-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
AN-465/41992744 (CAS 379729-66-5), with molecular formula C16H14F3N5O3 and molecular weight 381.10 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-465/41992744
Property Insights of AN-465/41992744
The XLogP value of 1.0912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/41992744. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41992744. Following Lipinski's Rule of Five, AN-465/41992744 has 1 hydrogen bond donor(s) and 4 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 AN-465/41992744?
The CAS number of AN-465/41992744 is 379729-66-5.
What is the molecular formula of AN-465/41992744?
The molecular formula of AN-465/41992744 is C16H14F3N5O3.
What is the molecular weight of AN-465/41992744?
The molecular weight of AN-465/41992744 is 381.10 g/mol.
Where can I buy AN-465/41992744?
You can request a quote for AN-465/41992744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41992744?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41992744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.