3-QUINOLINECARBAMIC ACID,ETHYL ESTER
TL;DR: 3-QUINOLINECARBAMIC ACID,ETHYL ESTER (CAS 23252-36-0) is a chemical compound with molecular formula C13H18F8N2 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2,2-dimethylaziridin-1-yl)-difluoromethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]pyrrolidine
Also Known As: 3-QUINOLINECARBAMIC ACID,ETHYL ESTER, 1-(3-(2,2-Dimethyl-1-aziridinyl)-3,3-difluoro-2,2-bis(trifluoromethyl)propyl)pyrrolidine, Pyrrolidine, 1-(3-(2,2-dimethyl-1-aziridinyl)-3,3-difluoro-2,2-bis(trifluoromethyl)propyl)-, 1-[2-[(2,2-DIMETHYLAZIRIDIN-1-YL)-DIFLUORO-METHYL]-3,3,3-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPYL]PYRROLIDINE, 1-[2-[(2,2-dimethylaziridin-1-yl)-difluoromethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]pyrrolidine
| Molecular Formula | C13H18F8N2 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.13422 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 23252-36-0 |
|---|---|
| SMILES | CC1(CN1C(C(CN2CCCC2)(C(F)(F)F)C(F)(F)F)(F)F)C |
| InChIKey | OYYIFQMGBCEBJG-UHFFFAOYSA-N |
Product Overview
3-QUINOLINECARBAMIC ACID,ETHYL ESTER (CAS 23252-36-0), with molecular formula C13H18F8N2 and molecular weight 354.13 g/mol. IUPAC: 1-[2-[(2,2-dimethylaziridin-1-yl)-difluoromethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]pyrrolidine.
Chemical Property Profile of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER
Property Insights of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER
The XLogP value of 4.3 indicates that 3-QUINOLINECARBAMIC ACID,ETHYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 3-QUINOLINECARBAMIC ACID,ETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-QUINOLINECARBAMIC ACID,ETHYL ESTER has 0 hydrogen bond donor(s) and 10 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 3-QUINOLINECARBAMIC ACID,ETHYL ESTER?
The CAS number of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER is 23252-36-0.
What is the molecular formula of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER?
The molecular formula of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER is C13H18F8N2.
What is the molecular weight of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER?
The molecular weight of 3-QUINOLINECARBAMIC ACID,ETHYL ESTER is 354.13 g/mol.
Where can I buy 3-QUINOLINECARBAMIC ACID,ETHYL ESTER?
You can request a quote for 3-QUINOLINECARBAMIC ACID,ETHYL ESTER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-QUINOLINECARBAMIC ACID,ETHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for 3-QUINOLINECARBAMIC ACID,ETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.