ChemDiv3_002812
TL;DR: ChemDiv3_002812 (CAS 6625-80-5) is a chemical compound with molecular formula C21H17F3O3 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-9-[[3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: ChemDiv3_002812, 7-methyl-9-{[3-(trifluoromethyl)benzyl]oxy}-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 7-methyl-9-[[3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, 7-METHYL-9-{[3-(TRIFLUOROMETHYL)PHENYL]METHOXY}-1H,2H,3H,4H-CYCLOPENTA[C]CHROMEN-4-ONE, 7-Methyl-9-{[3-(trifluoromethyl)phenyl]methoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
| Molecular Formula | C21H17F3O3 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 5.18792 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.11298 |
| Heavy Atoms | 27 |
| Complexity | 1080.4476 |
Chemical Identifiers
| CAS Number | 6625-80-5 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
ChemDiv3_002812 (CAS 6625-80-5), with molecular formula C21H17F3O3 and molecular weight 374.11 g/mol. IUPAC: 7-methyl-9-[[3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
Chemical Property Profile of ChemDiv3_002812
Property Insights of ChemDiv3_002812
The XLogP value of 5.18792 indicates that ChemDiv3_002812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, ChemDiv3_002812 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002812 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002812?
The CAS number of ChemDiv3_002812 is 6625-80-5.
What is the molecular formula of ChemDiv3_002812?
The molecular formula of ChemDiv3_002812 is C21H17F3O3.
What is the molecular weight of ChemDiv3_002812?
The molecular weight of ChemDiv3_002812 is 374.11 g/mol.
Where can I buy ChemDiv3_002812?
You can request a quote for ChemDiv3_002812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002812?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.