Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-
TL;DR: Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- (CAS 91365-98-9) 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.
[(8S,9R)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Also Known As: Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-, [(8S,9R)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl] (2R)-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 | 91365-98-9 |
|---|---|
| SMILES | CO[C@](C1=CC=CC=C1)(C(=O)O[C@@H]2CCC3=C([C@@H]2OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)C=C5C=CC6=CC=CC=C6C5=C3)C(F)(F)F |
| InChIKey | DOTGXDPTADVBAU-IKGCPKSMSA-N |
Product Overview
Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- (CAS 91365-98-9), with molecular formula C38H30F6O6 and molecular weight 696.19 g/mol. IUPAC: [(8S,9R)-8-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
Chemical Property Profile of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-
Property Insights of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-
The XLogP value of 9.5 indicates that Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- 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)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- 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)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-?
The CAS number of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- is 91365-98-9.
What is the molecular formula of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-?
The molecular formula of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- is C38H30F6O6.
What is the molecular weight of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-?
The molecular weight of Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- is 696.19 g/mol.
Where can I buy Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-?
You can request a quote for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- 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)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 8,9,10,11-tetrahydrobenz(a)anthracene-8,9-diyl ester, (8S-(8alpha(S*),9alpha(S*)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.