A3448/0146421
TL;DR: A3448/0146421 (CAS 696632-11-8) is a chemical compound with molecular formula C19H19F3N2O4 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
Also Known As: A3448/0146421, methyl 1-benzyl-4-(cyclopropanecarboxamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 4-[(cyclopropylcarbonyl)amino]-4,5-dihydro-2-methyl-5-oxo-1-(phenylmethyl)-4-(trifluoromethyl)-, methyl ester, methyl 1-benzyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate, methyl 1-benzyl-4-[(cyclopropylcarbonyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C19H19F3N2O4 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.3031 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1297 |
| Heavy Atoms | 28 |
| Complexity | 846.48474 |
Chemical Identifiers
| CAS Number | 696632-11-8 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1CC2=CC=CC=C2)(C(F)(F)F)NC(=O)C3CC3)C(=O)OC |
Product Overview
A3448/0146421 (CAS 696632-11-8), with molecular formula C19H19F3N2O4 and molecular weight 396.13 g/mol. IUPAC: methyl 1-benzyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate.
Chemical Property Profile of A3448/0146421
Property Insights of A3448/0146421
The XLogP value of 2.3031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3448/0146421. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A3448/0146421. Following Lipinski's Rule of Five, A3448/0146421 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 A3448/0146421?
The CAS number of A3448/0146421 is 696632-11-8.
What is the molecular formula of A3448/0146421?
The molecular formula of A3448/0146421 is C19H19F3N2O4.
What is the molecular weight of A3448/0146421?
The molecular weight of A3448/0146421 is 396.13 g/mol.
Where can I buy A3448/0146421?
You can request a quote for A3448/0146421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3448/0146421?
Yes, KEHONG BIO provides custom synthesis services for A3448/0146421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.