AB00360642-03
TL;DR: AB00360642-03 (CAS 712346-23-1) is a chemical compound with molecular formula C17H16F3N3O5 and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3,4,5-trimethoxybenzamide
Also Known As: AB00360642-03, A3782/0160516, N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3,4,5-trimethoxybenzamide, Benzamide, N-(4-cyano-5-methyl-2-oxo-3-trifluoromethyl-2,3-dihydro-1H-pyrrol-3-yl)-3,4,5-trimethoxy-, N-(4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C17H16F3N3O5 |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 1.67068 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.10422 |
| Heavy Atoms | 28 |
| Complexity | 879.27466 |
Chemical Identifiers
| CAS Number | 712346-23-1 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C#N |
Product Overview
AB00360642-03 (CAS 712346-23-1), with molecular formula C17H16F3N3O5 and molecular weight 399.10 g/mol. IUPAC: N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of AB00360642-03
Property Insights of AB00360642-03
The XLogP value of 1.67068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00360642-03. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00360642-03. Following Lipinski's Rule of Five, AB00360642-03 has 2 hydrogen bond donor(s) and 6 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 AB00360642-03?
The CAS number of AB00360642-03 is 712346-23-1.
What is the molecular formula of AB00360642-03?
The molecular formula of AB00360642-03 is C17H16F3N3O5.
What is the molecular weight of AB00360642-03?
The molecular weight of AB00360642-03 is 399.10 g/mol.
Where can I buy AB00360642-03?
You can request a quote for AB00360642-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00360642-03?
Yes, KEHONG BIO provides custom synthesis services for AB00360642-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.