Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester
TL;DR: Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester (CAS 77208-19-6) is a chemical compound with molecular formula C38H30F6O6 and molecular weight 696.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-1,2,3,4-tetrahydrochrysen-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Also Known As: Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester, 1,2,3,4-tetrahydrochrysene-3,4-diyl bis(3,3,3-trifluoro-2-methoxy-2-phenylpropanoate), [4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-1,2,3,4-tetrahydrochrysen-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
| Molecular Formula | C38H30F6O6 |
|---|---|
| Molecular Weight | 696.19 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 696.19464 |
| Heavy Atoms | 50 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 77208-19-6 |
|---|---|
| SMILES | COC(C1=CC=CC=C1)(C(=O)OC2CCC3=C(C2OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC)C5=C(C=C3)C6=CC=CC=C6C=C5)C(F)(F)F |
| InChIKey | XUJGMRLLHIRNQS-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester (CAS 77208-19-6), with molecular formula C38H30F6O6 and molecular weight 696.19 g/mol. IUPAC: [4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy-1,2,3,4-tetrahydrochrysen-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
Chemical Property Profile of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester
Property Insights of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester
The XLogP value of 9.5 indicates that Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester?
The CAS number of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester is 77208-19-6.
What is the molecular formula of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester?
The molecular formula of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester is C38H30F6O6.
What is the molecular weight of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester?
The molecular weight of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester is 696.19 g/mol.
Where can I buy Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester?
You can request a quote for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1,2,3,4-tetrahydro-3,4-chrysenediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.