Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate
TL;DR: Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate (CAS 64048-79-9) is a chemical compound with molecular formula C72H82F12N4O9 and molecular weight 1374.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate);hydrate
Also Known As: C18H20F3NO2.1/4H2O, 3-Tropanyl 4'-(trifluoromethyl)atropate quarterhydrate, C18-H20-F3-N-O2.1/4H2-O, 4'-(Trifluoromethyl)atropic acid, 3-tropanyl ester, quarterhydrate, ATROPIC ACID, 4'-(TRIFLUOROMETHYL)-, 3-TROPANYL ESTER, QUARTERHYDRATE
| Molecular Formula | C72H82F12N4O9 |
|---|---|
| Molecular Weight | 1374.59 g/mol |
| LogP | 14.72 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Exact Mass | 1374.589 |
| Heavy Atoms | 97 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 64048-79-9 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)C(F)(F)F.O |
| InChIKey | JODMGWMPQPXDHV-UHFFFAOYSA-N |
Product Overview
Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate (CAS 64048-79-9), with molecular formula C72H82F12N4O9 and molecular weight 1374.59 g/mol. IUPAC: tetrakis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate);hydrate.
Chemical Property Profile of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate
Property Insights of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate
The XLogP value of 14.72 indicates that Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate. Following Lipinski's Rule of Five, Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate has 1 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate?
The CAS number of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate is 64048-79-9.
What is the molecular formula of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate?
The molecular formula of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate is C72H82F12N4O9.
What is the molecular weight of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate?
The molecular weight of Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate is 1374.59 g/mol.
Where can I buy Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate?
You can request a quote for Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate?
Yes, KEHONG BIO provides custom synthesis services for Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.