A3782/0160530
TL;DR: A3782/0160530 (CAS 727680-41-3) is a chemical compound with molecular formula C17H17F3N2O6 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3,4-dimethoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
Also Known As: A3782/0160530, methyl 4-(3,4-dimethoxybenzamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 3-{[(3,4-dimethoxyphenyl)carbonyl]amino}-2-hydroxy-5-methyl-3-(trifluoromethyl)-3H-pyrrole-4-carboxylate, methyl 4-[(3,4-dimethoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate, METHYL 4-[(3,4-DIMETHOXYBENZOYL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C17H17F3N2O6 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 1.3115 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.10388 |
| Heavy Atoms | 28 |
| Complexity | 864.93896 |
Chemical Identifiers
| CAS Number | 727680-41-3 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=C(C=C2)OC)OC)C(=O)OC |
Product Overview
A3782/0160530 (CAS 727680-41-3), with molecular formula C17H17F3N2O6 and molecular weight 402.10 g/mol. IUPAC: methyl 4-[(3,4-dimethoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of A3782/0160530
Property Insights of A3782/0160530
The XLogP value of 1.3115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3782/0160530. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for A3782/0160530. Following Lipinski's Rule of Five, A3782/0160530 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 A3782/0160530?
The CAS number of A3782/0160530 is 727680-41-3.
What is the molecular formula of A3782/0160530?
The molecular formula of A3782/0160530 is C17H17F3N2O6.
What is the molecular weight of A3782/0160530?
The molecular weight of A3782/0160530 is 402.10 g/mol.
Where can I buy A3782/0160530?
You can request a quote for A3782/0160530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3782/0160530?
Yes, KEHONG BIO provides custom synthesis services for A3782/0160530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.